data_1itf_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 1itf _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 C--O 1.216 -0.706 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.05 -36.77 84.67 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.505 -0.747 . . . . 0.0 109.191 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 62.7 mtt85 -71.8 -37.06 70.45 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.399 -0.813 . . . . 0.0 109.492 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.0 m -59.42 -42.92 92.95 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.432 -0.792 . . . . 0.0 109.251 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.539 HD21 ' HG3' ' A' ' 148' ' ' MET . 91.6 mt -74.46 -32.84 62.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.618 -0.676 . . . . 0.0 109.632 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.3 ttp -61.64 -35.08 76.9 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 84' ' ' PHE . 90.0 mt -67.46 -45.66 75.34 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.613 HD22 ' CZ ' ' A' ' 84' ' ' PHE . 55.5 mt -58.72 -30.86 67.78 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 22' ' ' ARG . . . -70.02 -50.02 45.56 Favored 'General case' 0 C--O 1.211 -0.956 0 O-C-N 121.52 -0.737 . . . . 0.0 109.722 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -68.51 -21.0 64.61 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 120.986 -1.071 . . . . 0.0 109.898 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.532 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 53.7 mtp -73.39 -26.52 61.03 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.423 -0.798 . . . . 0.0 111.202 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 19.5 ptt-85 -64.27 124.18 21.05 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 120.702 -1.249 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.5 mptm? -90.67 -36.37 14.39 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.579 HG13 ' CG ' ' A' ' 141' ' ' GLU . 2.2 pt -115.9 170.49 5.69 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 CA-C-O 121.399 0.619 . . . . 0.0 109.363 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -97.03 154.07 17.54 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.648 -0.657 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.22 -29.62 70.92 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -68.82 -38.13 79.66 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -66.51 -27.89 68.13 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.449 -0.782 . . . . 0.0 108.896 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.541 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 35.5 m -112.84 53.37 0.75 Allowed 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.424 -0.798 . . . . 0.0 110.214 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.6 mt -83.03 3.18 31.38 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.172 -0.955 . . . . 0.0 109.816 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -81.86 -31.4 31.58 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.418 -0.801 . . . . 0.0 108.938 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -102.99 21.86 14.96 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.676 -0.64 . . . . 0.0 109.752 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -62.46 115.28 4.09 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.103 -0.998 . . . . 0.0 109.284 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -154.59 108.4 2.93 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -75.45 112.92 12.26 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.531 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 51.5 m-85 -63.44 -37.79 88.66 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.578 -0.701 . . . . 0.0 109.437 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.76 74.62 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 79.0 t80 -61.84 132.5 93.42 Favored Pre-proline 0 C--O 1.216 -0.666 0 O-C-N 121.543 -0.974 . . . . 0.0 108.46 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 49.8 Cg_endo -80.89 76.38 4.55 Favored 'Trans proline' 0 C--N 1.349 0.582 0 O-C-N 123.732 1.385 . . . . 0.0 110.857 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 40' ' ' GLN . 4.9 tt0 -81.52 -4.7 56.7 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.381 -0.824 . . . . 0.0 109.326 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.03 -32.32 69.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.147 -0.97 . . . . 0.0 108.731 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 115' ' ' SER . 2.2 tp10 -99.22 23.21 9.45 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.567 -0.708 . . . . 0.0 109.311 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.579 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 32.4 m-85 . . . . . 0 C--O 1.216 -0.673 0 O-C-N 121.373 -0.83 . . . . 0.0 109.302 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.215 -0.759 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.641 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 56.7 mt -57.17 -43.48 99.27 Favored Pre-proline 0 C--O 1.215 -0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 110.128 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -65.06 -25.69 58.59 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 123.08 1.042 . . . . 0.0 110.163 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.784 ' HA ' HG12 ' A' ' 116' ' ' ILE . 17.0 t -77.23 -41.14 30.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.557 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.9 mt -66.29 -30.47 70.9 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -69.39 -49.69 52.94 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.449 -0.782 . . . . 0.0 109.48 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HB2' HG21 ' A' ' 116' ' ' ILE . 8.1 mm-40 -68.3 -30.03 68.94 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.739 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.0 ttt -67.41 -50.75 58.12 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.618 HG21 ' CD2' ' A' ' 88' ' ' LEU . 13.7 mt -66.63 -21.28 28.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 121.623 -0.673 . . . . 0.0 109.472 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.0 -40.13 63.16 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.48 -35.84 78.09 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.493 -0.755 . . . . 0.0 109.463 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.462 HG22 ' CE1' ' A' ' 67' ' ' PHE . 81.0 mt -73.53 -32.52 36.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 68' ' ' SER . 51.7 t80 -62.16 -42.78 99.59 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.734 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -80.2 -40.22 27.61 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.518 -0.739 . . . . 0.0 109.57 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.0 tp -56.88 -32.46 65.88 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.479 -0.763 . . . . 0.0 109.428 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' HD2' HD23 ' A' ' 81' ' ' LEU . 18.8 m-85 -96.24 -27.15 15.14 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.629 -0.67 . . . . 0.0 110.073 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 22.9 t -72.63 -23.03 60.87 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.254 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -53.09 146.66 10.93 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.758 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -62.26 -20.62 64.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.524 -0.735 . . . . 0.0 109.928 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.06 -39.97 60.56 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.435 -0.791 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -83.26 -28.1 29.4 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.503 -0.748 . . . . 0.0 109.404 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.507 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 30.9 t -67.62 -33.88 75.87 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.462 -0.774 . . . . 0.0 109.196 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.37 26.97 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.15 62.78 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 63.7 m95 -122.67 166.84 14.24 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.485 -0.759 . . . . 0.0 109.779 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.21 129.21 39.73 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -24.37 66.81 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.603 -0.685 . . . . 0.0 110.316 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -80.69 -45.83 16.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.157 -0.964 . . . . 0.0 108.828 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.51 -35.5 79.58 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.3 mt -74.28 -34.41 63.55 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.0 -52.86 61.82 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HD3' HD23 ' A' ' 17' ' ' LEU . 49.7 tttm -65.39 -33.6 76.34 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.613 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 36.6 t80 -65.51 -28.37 69.14 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -76.03 -39.11 56.35 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.04 -1.038 . . . . 0.0 108.872 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.9 m -68.27 -33.41 74.31 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.626 -0.671 . . . . 0.0 109.192 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -74.22 -38.02 63.68 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.51 -0.744 . . . . 0.0 109.087 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.618 ' CD2' HG21 ' A' ' 60' ' ' ILE . 74.6 mt -65.09 -39.6 93.42 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.478 -0.764 . . . . 0.0 109.078 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.478 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -75.21 -24.82 57.81 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.537 -0.727 . . . . 0.0 109.78 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -71.21 -49.4 43.88 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.191 -0.943 . . . . 0.0 108.573 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.13 -28.12 67.04 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 15.6 mt -72.16 -33.63 67.86 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.297 -0.877 . . . . 0.0 109.498 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.38 -43.14 67.46 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 109.376 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -67.69 -46.82 71.21 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.508 -0.745 . . . . 0.0 109.114 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.217 -0.632 0 O-C-N 121.918 -0.489 . . . . 0.0 109.931 179.469 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--O 1.214 -0.782 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.593 ' HB3' HG13 ' A' ' 55' ' ' VAL . 67.6 m -67.89 -41.34 82.89 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.149 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.784 HG12 ' HA ' ' A' ' 55' ' ' VAL . 14.1 mt -75.71 -37.26 35.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 0.9 OUTLIER -64.94 -31.37 72.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 39' ' ' PRO . . . -72.17 -48.1 45.93 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.171 -0.956 . . . . 0.0 108.61 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.76 -31.27 51.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 121.773 -0.58 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.61 -35.93 67.97 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.838 -1.164 . . . . 0.0 109.581 -178.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 120' ' ' ARG . 56.1 mtmt -73.07 -31.67 64.54 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.198 -0.939 . . . . 0.0 108.642 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.578 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 80.7 t80 -64.77 -50.7 65.78 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.442 ' CE2' HG12 ' A' ' 63' ' ' ILE . 23.1 m-85 -67.73 -26.85 66.35 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.782 -0.574 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -63.23 -42.04 99.19 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.67 -38.06 83.23 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.451 HG22 HG11 ' A' ' 143' ' ' VAL . 67.0 mt -60.8 -38.81 79.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 O-C-N 121.573 -0.704 . . . . 0.0 109.167 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 m -66.56 -40.36 88.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.392 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.4 -45.06 94.85 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.406 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.3 t80 -58.6 -35.21 72.07 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.674 -0.641 . . . . 0.0 109.569 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.34 -42.44 75.29 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -69.66 -26.06 64.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.909 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.59 -49.38 21.93 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.378 -0.826 . . . . 0.0 109.37 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 136' ' ' SER . 14.2 mptt -82.26 3.0 29.23 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 109.716 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 56.16 46.81 20.73 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.417 -0.802 . . . . 0.0 109.197 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.95 49.21 16.3 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.665 -0.647 . . . . 0.0 109.724 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.529 ' HB3' ' HB1' ' A' ' 139' ' ' ALA . 46.7 t -72.46 150.44 91.52 Favored Pre-proline 0 C--O 1.216 -0.684 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.455 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.4 -30.82 62.61 Favored 'Trans proline' 0 C--N 1.352 0.721 0 O-C-N 123.583 1.307 . . . . 0.0 110.759 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.07 -41.1 51.57 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 136' ' ' SER . . . -62.75 -38.52 90.87 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 109.082 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 13.6 m95 -67.43 -33.09 74.44 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.577 -0.702 . . . . 0.0 109.76 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.579 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -67.23 -46.48 73.65 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.25 -40.67 84.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.451 HG11 HG22 ' A' ' 126' ' ' ILE . 91.5 t -69.83 -26.08 29.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 121.676 -0.64 . . . . 0.0 109.478 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.602 ' HA ' ' CZ ' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -66.3 -50.6 63.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.275 -0.891 . . . . 0.0 108.826 178.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.72 -33.48 75.72 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.432 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 47.2 mm-40 -68.26 -36.78 79.96 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.617 -0.677 . . . . 0.0 109.833 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 143' ' ' VAL . 21.4 mm -72.83 -36.97 53.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 121.355 -0.841 . . . . 0.0 109.108 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.539 ' HG3' HD21 ' A' ' 15' ' ' LEU . 31.7 ttm -65.03 -45.13 86.75 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.492 -0.755 . . . . 0.0 109.904 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -69.84 -43.8 71.24 Favored 'General case' 0 C--O 1.211 -0.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.918 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.524 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 64.2 p -63.32 -40.43 97.31 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.466 -0.771 . . . . 0.0 109.876 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.472 ' HE1' ' CG1' ' A' ' 60' ' ' ILE . 45.6 t80 -71.44 -39.15 71.19 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.44 -0.787 . . . . 0.0 109.969 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 65.3 p -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.478 -0.764 . . . . 0.0 109.162 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 56.1 mt -71.87 -37.94 70.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.557 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 3.7 m -75.02 -32.85 61.7 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.548 -0.72 . . . . 0.0 109.821 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 34.0 p -89.79 -5.82 56.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.348 -0.845 . . . . 0.0 110.49 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--O 1.217 -0.639 0 O-C-N 121.164 -0.96 . . . . 0.0 109.587 178.588 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.213 -0.827 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.45 -42.43 87.62 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.592 -0.693 . . . . 0.0 109.868 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -74.19 -40.9 62.21 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.432 -0.793 . . . . 0.0 110.079 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.9 m -62.71 -45.83 90.93 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.366 -0.834 . . . . 0.0 109.605 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD23 ' HB3' ' A' ' 151' ' ' PHE . 41.7 mt -66.99 -33.31 75.29 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.712 -0.617 . . . . 0.0 109.598 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -64.81 -40.16 94.76 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.261 -0.9 . . . . 0.0 108.792 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.579 HD11 ' HA ' ' A' ' 84' ' ' PHE . 53.5 mt -60.49 -47.24 86.99 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HG ' ' CE1' ' A' ' 84' ' ' PHE . 82.7 mt -58.54 -37.7 76.24 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.818 -0.552 . . . . 0.0 109.614 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.72 -46.63 89.66 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.634 -0.666 . . . . 0.0 109.683 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -73.67 -21.35 60.29 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.508 -0.745 . . . . 0.0 110.136 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.492 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -70.91 -22.81 62.2 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 121.287 -0.883 . . . . 0.0 110.717 -179.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.458 ' HB3' ' NH2' ' A' ' 22' ' ' ARG . 12.0 ttp-105 -63.92 116.61 5.99 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.932 -1.105 . . . . 0.0 109.792 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.492 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.1 mptm? -92.67 -36.28 13.04 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.628 -0.67 . . . . 0.0 109.643 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.637 HG13 ' HG3' ' A' ' 141' ' ' GLU . 4.1 pt -114.22 165.29 9.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 121.65 0.738 . . . . 0.0 110.305 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -84.49 140.63 31.33 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.623 -0.673 . . . . 0.0 109.223 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.58 ' O ' HD11 ' A' ' 30' ' ' LEU . 43.3 tp -59.84 -39.14 84.13 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.724 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 91.1 m-85 -58.2 -41.23 83.54 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -59.03 -33.41 70.71 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.431 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 68.2 m -101.88 50.92 0.84 Allowed 'General case' 0 C--O 1.219 -0.525 0 O-C-N 121.825 -0.547 . . . . 0.0 109.602 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.724 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.84 7.34 27.52 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.316 -0.865 . . . . 0.0 109.715 178.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -101.87 -21.63 14.52 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.241 -0.912 . . . . 0.0 109.2 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.4 26.72 10.29 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.519 -0.738 . . . . 0.0 109.594 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HA ' HG23 ' A' ' 142' ' ' VAL . 57.6 ttp180 -87.09 122.29 30.7 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.057 -1.027 . . . . 0.0 109.531 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -141.17 147.99 39.3 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.599 -0.688 . . . . 0.0 109.571 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.76 126.91 33.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.528 -0.733 . . . . 0.0 109.309 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.4 m-85 -85.34 -51.37 6.61 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.594 -0.691 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 67.02 0.53 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 85.2 t80 -76.59 131.8 73.51 Favored Pre-proline 0 C--O 1.217 -0.621 0 O-C-N 121.548 -0.972 . . . . 0.0 108.826 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.526 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 55.1 Cg_endo -80.59 70.73 7.4 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 O-C-N 123.808 1.425 . . . . 0.0 111.459 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.428 ' OE1' ' HB3' ' A' ' 153' ' ' LEU . 41.8 tp60 -79.45 -22.89 43.55 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.202 -0.937 . . . . 0.0 108.996 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -28.82 65.39 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.28 -0.887 . . . . 0.0 109.167 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.1 35.91 2.26 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.485 ' CD2' ' HA ' ' A' ' 154' ' ' SER . 1.3 m-85 . . . . . 0 C--O 1.215 -0.752 0 O-C-N 121.362 -0.836 . . . . 0.0 111.621 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.482 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.21 -0.98 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.589 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 22.9 mt -54.57 -46.05 99.32 Favored Pre-proline 0 C--O 1.213 -0.839 0 O-C-N 120.982 -1.074 . . . . 0.0 110.496 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.1 Cg_endo -67.56 -32.24 31.71 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.204 1.107 . . . . 0.0 110.679 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.736 ' HA ' HG12 ' A' ' 116' ' ' ILE . 6.0 t -71.51 -44.88 70.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.597 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 86.9 mt -62.25 -35.61 79.47 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -59.76 -53.57 56.43 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.759 -0.588 . . . . 0.0 109.731 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 116' ' ' ILE . 3.4 mt-10 -69.27 -23.66 63.87 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.213 -0.93 . . . . 0.0 109.614 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 ttt -70.13 -35.78 74.33 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.316 -0.865 . . . . 0.0 108.746 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' CD1' ' A' ' 92' ' ' LEU . 15.3 mm -70.43 -33.1 52.41 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -68.94 -34.22 74.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.435 -0.791 . . . . 0.0 108.963 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -71.65 -41.52 68.69 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.431 -0.793 . . . . 0.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.535 HG21 ' CE1' ' A' ' 67' ' ' PHE . 77.9 mt -73.64 -25.11 20.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.337 -0.852 . . . . 0.0 108.797 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' A' ' 88' ' ' LEU . 24.6 t80 -68.03 -47.12 69.3 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.328 -0.858 . . . . 0.0 109.285 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -77.69 -34.96 52.64 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.544 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.85 -28.85 69.78 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 121.396 -0.815 . . . . 0.0 109.499 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CE1' HG21 ' A' ' 63' ' ' ILE . 10.7 m-85 -101.25 -21.78 14.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.388 -0.82 . . . . 0.0 109.926 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 8.6 t -80.17 -22.74 41.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.831 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 p -50.54 147.26 4.71 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 110.007 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.52 -26.62 68.65 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.848 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB2' ' CG ' ' A' ' 135' ' ' TYR . 1.4 p30 -74.45 -15.51 60.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.165 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.472 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.4 m -104.99 -32.96 8.5 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.338 -0.851 . . . . 0.0 109.587 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.487 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 59.9 m -64.32 -31.72 73.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.649 -0.657 . . . . 0.0 109.335 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.46 -29.99 25.63 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.31 87.08 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.693 -0.63 . . . . 0.0 110.05 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -114.27 173.88 6.23 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.602 -0.686 . . . . 0.0 109.856 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.75 132.55 45.51 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.4 pp20? -64.33 -26.38 68.45 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.439 -0.788 . . . . 0.0 110.3 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -78.68 -45.03 22.3 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.12 -0.988 . . . . 0.0 108.728 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.42 -39.46 93.37 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.84 -33.11 70.33 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 10.6 t70 -55.76 -51.49 67.19 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 74.4 mmtt -65.22 -35.11 80.03 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.579 ' HA ' HD11 ' A' ' 17' ' ' LEU . 26.2 t80 -63.66 -30.36 71.48 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.712 -0.618 . . . . 0.0 109.616 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 24.6 m-85 -75.26 -43.71 49.94 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.048 -1.033 . . . . 0.0 109.396 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -64.83 -35.3 80.66 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.561 -0.712 . . . . 0.0 109.922 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.55 ' HG3' HD13 ' A' ' 17' ' ' LEU . 60.2 mm-40 -73.94 -31.94 63.27 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.236 -0.915 . . . . 0.0 109.533 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.563 ' CD2' HG21 ' A' ' 60' ' ' ILE . 59.4 mt -69.92 -41.37 74.72 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.506 -0.746 . . . . 0.0 109.747 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 11.6 t80 -77.34 -33.93 55.32 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.264 -0.897 . . . . 0.0 110.134 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -65.53 -47.26 76.52 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.226 -0.922 . . . . 0.0 108.707 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -66.84 -28.62 68.49 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.592 ' CD1' HG23 ' A' ' 60' ' ' ILE . 7.6 mt -68.34 -35.56 77.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.543 -0.723 . . . . 0.0 109.48 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.23 -42.11 76.11 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.392 -0.818 . . . . 0.0 109.236 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.35 -41.33 85.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.485 -0.759 . . . . 0.0 109.451 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--O 1.216 -0.691 0 O-C-N 121.829 -0.544 . . . . 0.0 110.316 -179.427 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.215 -0.721 0 CA-C-O 120.722 0.296 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.424 ' HB2' HG23 ' A' ' 55' ' ' VAL . 16.0 p -61.15 -49.66 76.31 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.281 -0.887 . . . . 0.0 108.836 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.736 HG12 ' HA ' ' A' ' 55' ' ' VAL . 77.1 mt -67.44 -28.49 42.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.542 HD22 ' HD3' ' A' ' 120' ' ' ARG . 32.9 mt -66.25 -32.94 74.67 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -67.94 -44.67 76.27 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.02 -25.19 29.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 121.319 -0.863 . . . . 0.0 108.981 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.542 ' HD3' HD22 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.34 -43.76 73.0 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.151 -0.968 . . . . 0.0 109.92 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 118' ' ' ALA . 18.8 ptpt -69.67 -31.09 68.96 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.394 -0.816 . . . . 0.0 109.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.526 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 56.6 t80 -66.06 -51.71 55.67 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.478 -0.764 . . . . 0.0 109.076 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.48 -24.44 64.69 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.694 -0.629 . . . . 0.0 109.982 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -64.22 -41.84 96.85 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.25 -34.73 75.25 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.513 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 47.2 mt -66.09 -36.31 77.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.419 -0.801 . . . . 0.0 109.492 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.3 m -68.27 -42.89 78.91 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.422 -0.799 . . . . 0.0 109.173 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -31.79 70.62 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.554 -0.716 . . . . 0.0 109.379 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.83 -43.36 99.02 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.532 -0.73 . . . . 0.0 109.289 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 52.7 mt -67.0 -37.49 84.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -69.38 -29.55 67.34 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.489 -0.757 . . . . 0.0 109.716 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 7.2 tt0 -71.07 -50.15 36.91 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.466 -0.771 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.457 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.6 mptp? -81.29 3.67 23.22 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.767 -0.583 . . . . 0.0 109.748 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 55.23 44.85 26.93 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.438 ' CG ' ' HB2' ' A' ' 71' ' ' ASP . 32.1 m-85 59.13 53.58 5.39 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.653 -0.654 . . . . 0.0 110.025 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.435 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 18.6 m -76.12 161.17 76.28 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.381 -0.825 . . . . 0.0 109.153 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.51 -41.89 3.01 Favored 'Trans proline' 0 C--O 1.216 -0.623 0 O-C-N 123.732 1.385 . . . . 0.0 110.779 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.96 -34.87 73.96 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.494 -0.754 . . . . 0.0 109.158 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.47 86.36 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.529 -0.732 . . . . 0.0 109.356 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.472 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 17.9 m95 -70.54 -34.19 72.0 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.486 -0.759 . . . . 0.0 109.865 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.637 ' HG3' HG13 ' A' ' 24' ' ' ILE . 11.6 tm-20 -67.7 -43.08 80.93 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 33' ' ' ARG . 82.4 t -61.84 -40.99 88.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 85.4 t -71.95 -25.68 24.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.69 -0.632 . . . . 0.0 109.488 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.474 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 2.1 tmt_? -65.5 -51.12 62.32 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.63 73.02 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 120.999 0.428 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.05 -33.8 68.26 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.428 -0.795 . . . . 0.0 110.038 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 mm -76.13 -35.86 29.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.826 0 O-C-N 121.411 -0.806 . . . . 0.0 109.502 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.6 ' SD ' HD21 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -74.9 -33.72 62.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.491 -0.756 . . . . 0.0 109.217 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -43.9 57.38 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.363 -0.836 . . . . 0.0 109.05 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.593 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.9 p -65.49 -32.67 74.41 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.514 -0.741 . . . . 0.0 109.121 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.723 ' HB3' HD23 ' A' ' 15' ' ' LEU . 12.3 t80 -69.71 -44.85 69.52 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.9 t -62.9 -36.52 83.63 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.428 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . 65.6 mt -64.9 -49.98 68.34 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.605 -0.685 . . . . 0.0 109.554 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 51.5 p -60.11 -40.45 89.72 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.809 -0.557 . . . . 0.0 110.568 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.48 HG22 ' CD1' ' A' ' 151' ' ' PHE . 17.6 p -93.61 0.89 56.74 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.866 -0.521 . . . . 0.0 111.103 -175.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 . . . . . 0 CA--C 1.542 0.643 0 O-C-N 121.132 -0.98 . . . . 0.0 109.215 177.365 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.416 ' HB3' HG23 ' A' ' 155' ' ' THR . 72.7 p . . . . . 0 C--O 1.217 -0.65 0 CA-C-O 120.984 0.421 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -63.13 -41.11 99.26 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.503 -0.748 . . . . 0.0 109.584 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 20.9 tpp180 -71.04 -35.63 72.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.477 -0.765 . . . . 0.0 109.862 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.3 m -62.88 -44.98 94.65 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.389 -0.819 . . . . 0.0 109.318 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' CD2' ' HB3' ' A' ' 151' ' ' PHE . 74.7 mt -68.12 -31.68 71.45 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.586 -0.697 . . . . 0.0 109.175 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.22 -38.18 90.13 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' A' ' 84' ' ' PHE . 37.7 mt -64.1 -41.85 97.13 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 61.1 mt -60.05 -30.64 69.33 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.718 -0.614 . . . . 0.0 109.531 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.48 63.4 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.757 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.44 -39.11 74.53 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.484 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.49 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.7 ptp -65.78 -22.46 66.57 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.737 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -55.63 106.41 0.25 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.703 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -94.47 -39.14 10.58 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -106.2 170.57 2.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-O 121.524 0.678 . . . . 0.0 109.84 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.5 m -101.0 150.11 23.23 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.3 tp -64.42 -30.06 71.11 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -68.08 -37.61 81.42 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.023 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -66.71 -25.8 66.71 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.055 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.2 m -114.86 54.17 0.79 Allowed 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.502 -0.749 . . . . 0.0 109.891 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 55.9 mt -82.43 0.74 40.77 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.157 -0.964 . . . . 0.0 110.393 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -82.8 -30.04 29.12 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.301 -0.874 . . . . 0.0 108.981 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -105.88 10.82 32.37 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.75 -0.594 . . . . 0.0 109.828 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HA ' HG23 ' A' ' 142' ' ' VAL . 0.3 OUTLIER -70.9 109.91 5.32 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.239 -0.913 . . . . 0.0 109.693 -179.153 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -149.09 135.51 19.36 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.24 124.41 27.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.39 -0.819 . . . . 0.0 108.894 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 72.4 m-85 -73.24 -50.44 22.37 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.523 -0.736 . . . . 0.0 109.643 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.9 66.87 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 87.2 t80 -71.38 131.47 86.59 Favored Pre-proline 0 C--O 1.216 -0.659 0 O-C-N 121.638 -0.919 . . . . 0.0 108.999 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.0 Cg_endo -79.48 67.05 8.72 Favored 'Trans proline' 0 C--N 1.351 0.708 0 O-C-N 123.732 1.385 . . . . 0.0 111.04 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -75.1 -14.62 60.59 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.338 -0.851 . . . . 0.0 109.097 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -61.26 -30.64 70.58 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.26 -0.9 . . . . 0.0 108.783 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -95.55 26.93 3.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 9.1 m-85 . . . . . 0 C--O 1.218 -0.596 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.462 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 14.6 t . . . . . 0 C--O 1.214 -0.768 0 CA-C-O 120.796 0.331 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.603 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 45.1 mt -57.53 -45.02 99.89 Favored Pre-proline 0 C--O 1.215 -0.763 0 O-C-N 121.038 -1.039 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -64.67 -28.71 60.45 Favored 'Trans proline' 0 C--N 1.357 0.989 0 O-C-N 123.106 1.056 . . . . 0.0 110.635 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.626 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.9 t -76.25 -37.96 32.85 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.837 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.592 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 40.9 mt -67.83 -31.3 71.05 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -69.48 -47.86 62.55 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.447 -0.783 . . . . 0.0 109.672 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -73.08 -31.5 64.42 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.5 -0.75 . . . . 0.0 110.299 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.447 ' CG ' HG12 ' A' ' 119' ' ' VAL . 8.0 ttt -71.66 -41.78 68.3 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.199 -0.938 . . . . 0.0 109.063 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.593 HG21 ' CD2' ' A' ' 88' ' ' LEU . 3.5 mt -70.01 -27.11 31.45 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 O-C-N 121.421 -0.799 . . . . 0.0 108.9 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.68 -38.36 70.62 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -67.11 -37.62 84.23 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.5 -0.75 . . . . 0.0 109.38 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.502 HG22 ' CE1' ' A' ' 67' ' ' PHE . 75.8 mt -72.81 -30.78 34.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 88' ' ' LEU . 15.4 t80 -62.17 -48.46 79.99 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 121.459 -0.775 . . . . 0.0 109.433 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -76.71 -37.11 56.64 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.502 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.5 tp -57.94 -33.35 68.72 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.526 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.502 ' CE1' HG22 ' A' ' 63' ' ' ILE . 17.9 m-85 -97.18 -24.05 15.91 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 110.047 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 13.2 t -77.67 -17.5 57.62 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.0 p -55.97 150.41 13.56 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.228 -0.92 . . . . 0.0 110.213 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.8 -25.49 67.52 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 109.99 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.99 -32.89 57.55 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.44 -0.788 . . . . 0.0 110.063 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.495 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 23.7 t -86.19 -32.59 21.13 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.255 -0.903 . . . . 0.0 109.705 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 26.5 t -64.62 -36.44 84.27 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.584 -0.697 . . . . 0.0 109.258 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -24.43 33.04 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.48 72.28 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.46 -0.775 . . . . 0.0 109.999 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.59 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 78.9 m95 -118.47 176.16 5.38 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.636 -0.665 . . . . 0.0 109.897 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 133.93 49.16 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -67.92 -28.13 67.23 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.352 -0.843 . . . . 0.0 110.564 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.1 m -78.12 -44.33 26.39 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.059 -1.025 . . . . 0.0 109.001 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.9 -38.5 91.2 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 76' ' ' TRP . 11.3 mt -71.45 -33.21 69.17 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -49.16 74.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -64.95 -34.59 78.77 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.436 ' HA ' HD11 ' A' ' 17' ' ' LEU . 12.7 t80 -64.1 -32.29 73.8 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.786 -0.571 . . . . 0.0 109.659 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -76.63 -35.37 58.08 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.042 -1.036 . . . . 0.0 109.597 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.9 m -69.24 -39.93 78.2 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.453 -0.78 . . . . 0.0 109.868 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.41 -34.04 65.28 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.275 -0.891 . . . . 0.0 109.823 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.593 ' CD2' HG21 ' A' ' 60' ' ' ILE . 81.8 mt -69.49 -38.72 77.77 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.378 -0.826 . . . . 0.0 109.372 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.6 -38.04 59.36 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.55 -0.719 . . . . 0.0 110.527 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -68.71 -45.95 70.23 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.187 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -66.7 -26.22 66.92 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.551 -0.718 . . . . 0.0 109.192 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.17 -47.11 63.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.367 -0.833 . . . . 0.0 109.452 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.56 -32.7 74.45 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.507 -0.745 . . . . 0.0 109.967 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.83 61.99 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.261 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.5 mt . . . . . 0 C--O 1.217 -0.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 179.546 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 C--O 1.215 -0.734 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.403 ' HB2' HG23 ' A' ' 55' ' ' VAL . 1.4 p -64.13 -43.75 94.29 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.626 HG12 ' HA ' ' A' ' 55' ' ' VAL . 76.3 mt -66.2 -33.08 61.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 mt -66.31 -34.52 78.18 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.686 -0.634 . . . . 0.0 109.555 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.95 -48.65 73.31 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.447 HG12 ' CG ' ' A' ' 59' ' ' MET . 91.3 t -63.27 -27.24 42.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.4 -43.0 95.78 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.464 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -69.23 -34.14 74.37 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.434 -0.791 . . . . 0.0 109.453 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.611 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 67.4 t80 -63.55 -50.89 67.74 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.487 -0.758 . . . . 0.0 109.686 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.47 -20.73 61.33 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.635 -0.666 . . . . 0.0 110.411 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -40.43 81.93 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 21.1 tpt180 -68.68 -39.06 80.74 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.488 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 64.4 mt -61.74 -39.51 83.58 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.628 -0.67 . . . . 0.0 109.616 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -66.98 -36.29 81.85 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.73 -38.55 80.27 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 121.45 -0.781 . . . . 0.0 109.291 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.47 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -63.02 -35.33 79.86 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.543 -0.723 . . . . 0.0 109.694 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 79.1 mt -72.41 -38.78 68.3 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.569 -0.707 . . . . 0.0 109.676 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.82 -21.06 55.63 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.098 -1.001 . . . . 0.0 109.686 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.423 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 13.7 tt0 -77.62 -49.08 15.3 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 108.991 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 1.3 mptm? -83.22 4.49 26.61 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 58.82 41.0 22.25 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.357 -0.84 . . . . 0.0 110.173 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 32.6 m-85 59.74 49.59 7.97 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.527 -0.733 . . . . 0.0 109.973 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.422 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 11.0 m -81.54 160.96 63.32 Favored Pre-proline 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.222 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.6 Cg_endo -69.15 -32.62 20.73 Favored 'Trans proline' 0 C--O 1.216 -0.616 0 O-C-N 123.881 1.464 . . . . 0.0 110.915 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 3.7 m -71.19 -45.87 62.49 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.545 -0.722 . . . . 0.0 109.377 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.05 81.14 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.429 -0.794 . . . . 0.0 108.939 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.495 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 17.9 m95 -70.12 -36.71 75.01 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.547 -0.721 . . . . 0.0 109.989 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -64.2 -40.26 95.7 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.375 -0.828 . . . . 0.0 109.404 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.591 HG23 ' HA ' ' A' ' 33' ' ' ARG . 96.1 t -65.46 -42.06 92.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.05 -22.04 22.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 O-C-N 121.706 -0.621 . . . . 0.0 109.374 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.18 60.34 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.136 -0.977 . . . . 0.0 108.697 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.34 73.79 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.872 -0.518 . . . . 0.0 109.66 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.438 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 32.3 mm-40 -69.38 -35.28 75.66 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.649 -0.657 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 mm -74.2 -33.03 33.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 121.31 -0.869 . . . . 0.0 109.451 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.3 ttm -70.62 -37.58 73.85 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.469 -0.77 . . . . 0.0 109.018 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -72.19 -47.81 47.9 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.584 -0.697 . . . . 0.0 109.673 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.522 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 60.6 p -61.22 -42.43 98.59 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.69 -0.631 . . . . 0.0 110.176 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.494 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 48.7 t80 -65.49 -39.01 91.42 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.423 -0.798 . . . . 0.0 109.428 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.2 t -67.74 -36.0 79.76 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.488 -0.757 . . . . 0.0 109.39 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' A' ' 150' ' ' SER . 53.1 mt -65.44 -39.62 92.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.532 -0.73 . . . . 0.0 109.811 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 51.4 m -73.0 -30.72 63.99 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.611 -0.681 . . . . 0.0 110.623 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.416 HG23 ' HB3' ' A' ' 11' ' ' SER . 73.5 p -94.38 -7.25 42.18 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.265 -0.897 . . . . 0.0 111.035 -178.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.2 m120 . . . . . 0 C--O 1.216 -0.66 0 O-C-N 120.846 -1.159 . . . . 0.0 110.235 178.756 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.435 ' HB3' ' CG2' ' A' ' 155' ' ' THR . 47.6 m . . . . . 0 C--O 1.216 -0.695 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 24.4 tpt180 -66.88 -35.12 79.29 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.377 -0.827 . . . . 0.0 109.413 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -66.25 -37.23 85.02 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.41 -0.807 . . . . 0.0 108.837 178.386 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.6 m -63.21 -41.31 99.13 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 151' ' ' PHE . 65.0 mt -69.2 -32.66 72.1 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.752 -0.593 . . . . 0.0 109.625 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.9 -36.23 82.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 84' ' ' PHE . 68.0 mt -61.47 -45.92 92.22 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.3 -41.7 76.35 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.872 -0.517 . . . . 0.0 109.847 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.452 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.21 -44.34 95.22 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.601 -0.687 . . . . 0.0 109.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -70.82 -23.08 62.29 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.413 -0.804 . . . . 0.0 110.125 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.512 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 2.0 mtm -74.68 -11.36 60.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 121.265 -0.897 . . . . 0.0 111.172 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -70.46 111.86 6.32 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.624 -1.297 . . . . 0.0 109.496 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HD2' ' O ' ' A' ' 21' ' ' MET . 5.0 mptp? -92.23 -37.31 12.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.603 -0.686 . . . . 0.0 109.327 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.418 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 4.4 pt -108.7 170.8 2.68 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.02 146.66 27.14 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.467 -0.77 . . . . 0.0 108.936 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.01 -31.15 72.23 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.416 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 74.7 m-85 -68.01 -38.06 82.17 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 176.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.5 m -66.21 -28.78 69.01 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.418 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 12.3 m -112.95 56.26 0.68 Allowed 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.549 -0.719 . . . . 0.0 109.896 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 69.7 mt -83.78 3.65 32.52 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 120.871 -1.143 . . . . 0.0 110.413 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -86.95 -12.96 46.03 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.158 -0.964 . . . . 0.0 109.678 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.589 ' HB3' HG22 ' A' ' 142' ' ' VAL . 7.2 t70 -111.02 24.39 12.97 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.366 -0.834 . . . . 0.0 109.932 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 60.9 mtm-85 -67.66 101.28 1.01 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 120.674 -1.266 . . . . 0.0 109.846 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -143.86 118.95 10.07 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.514 -0.741 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -79.45 132.85 36.48 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 80.4 m-85 -86.49 -49.76 7.35 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.02 76.57 1.04 Allowed Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 80.4 t80 -72.91 134.48 81.18 Favored Pre-proline 0 C--O 1.216 -0.677 0 O-C-N 121.468 -1.019 . . . . 0.0 108.826 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 53.2 Cg_endo -81.33 75.82 4.75 Favored 'Trans proline' 0 C--N 1.351 0.675 0 O-C-N 123.648 1.341 . . . . 0.0 110.897 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB2' HD12 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -78.55 -13.06 60.01 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.165 -0.96 . . . . 0.0 109.363 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.08 -28.5 69.12 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -85.46 8.24 19.81 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.748 -0.595 . . . . 0.0 109.788 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 57.1 m-85 . . . . . 0 C--O 1.218 -0.579 0 O-C-N 121.251 -0.905 . . . . 0.0 108.795 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.544 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 16.7 p . . . . . 0 C--O 1.206 -1.212 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.569 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 13.4 mt -45.26 -46.61 32.73 Favored Pre-proline 0 N--CA 1.476 0.846 0 O-C-N 121.068 -1.02 . . . . 0.0 111.117 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.7 Cg_endo -67.1 -36.64 21.2 Favored 'Trans proline' 0 C--N 1.354 0.824 0 O-C-N 123.114 1.06 . . . . 0.0 110.646 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.729 ' HA ' HG12 ' A' ' 116' ' ' ILE . 20.9 t -71.25 -39.08 72.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.484 -0.76 . . . . 0.0 109.187 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.579 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 25.9 mt -68.09 -33.68 74.98 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.403 ' CD2' HD22 ' A' ' 92' ' ' LEU . 62.9 t-80 -62.66 -46.43 88.24 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -71.29 -29.68 65.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.517 -0.74 . . . . 0.0 109.309 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.5 tpp -64.66 -36.95 85.93 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.617 ' CG2' ' HG ' ' A' ' 92' ' ' LEU . 4.6 mm -71.1 -33.79 52.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -69.43 -35.56 75.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.561 -0.712 . . . . 0.0 109.579 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -71.59 -40.27 69.98 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.442 -0.786 . . . . 0.0 109.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 67' ' ' PHE . 78.0 mt -76.6 -27.31 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.006 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 68' ' ' SER . 41.3 t80 -68.08 -43.03 79.5 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.232 -0.918 . . . . 0.0 109.22 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -80.28 -38.51 30.67 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.635 -0.665 . . . . 0.0 109.895 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.63 -31.07 69.17 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.491 -0.756 . . . . 0.0 109.417 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 63' ' ' ILE . 8.0 m-85 -95.8 -27.85 15.03 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.578 -0.701 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.2 t -72.59 -18.97 61.56 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.336 -0.853 . . . . 0.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.2 p -54.65 151.75 7.76 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.21 -0.931 . . . . 0.0 109.967 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.39 -21.55 66.35 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 109.721 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -77.27 -43.98 31.43 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.33 -0.856 . . . . 0.0 109.687 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.511 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.4 t -78.27 -29.61 48.09 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.506 -0.746 . . . . 0.0 109.969 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.503 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 92.5 p -65.4 -37.97 88.57 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.465 -0.772 . . . . 0.0 109.22 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.34 -21.49 35.97 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.97 67.94 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.121 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.549 ' HB2' HD13 ' A' ' 81' ' ' LEU . 68.5 m95 -119.03 172.68 7.38 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.657 -0.652 . . . . 0.0 109.671 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.66 137.63 52.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.344 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -66.99 -27.8 67.73 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.661 -0.649 . . . . 0.0 110.176 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.1 m -78.0 -45.19 24.43 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.183 -0.948 . . . . 0.0 108.872 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.57 -38.09 89.81 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 76' ' ' TRP . 10.7 mt -70.77 -33.26 70.59 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.82 -52.56 63.57 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -67.03 -30.57 70.69 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.544 ' HA ' HD11 ' A' ' 17' ' ' LEU . 20.9 t80 -66.66 -29.65 69.72 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.559 -0.713 . . . . 0.0 109.322 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.9 -33.66 51.77 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.267 -0.895 . . . . 0.0 108.909 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.8 m -69.71 -35.41 75.03 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.451 ' HG3' HD12 ' A' ' 17' ' ' LEU . 29.7 mm-40 -74.24 -32.8 63.12 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.455 -0.778 . . . . 0.0 109.291 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.524 ' CD2' HG21 ' A' ' 60' ' ' ILE . 46.8 mt -70.36 -40.38 74.06 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.489 -0.757 . . . . 0.0 109.173 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.522 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.6 t80 -76.09 -29.39 57.9 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.223 -0.923 . . . . 0.0 109.671 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -67.48 -47.87 68.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -66.78 -28.55 68.48 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.617 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 11.0 mt -71.77 -31.29 66.48 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.465 -0.772 . . . . 0.0 109.508 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -72.32 -42.1 65.82 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.449 -0.782 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -69.77 -45.74 67.36 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.395 -0.815 . . . . 0.0 109.059 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--O 1.217 -0.627 0 O-C-N 121.936 -0.478 . . . . 0.0 110.211 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.217 -0.637 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.685 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 23.2 t -73.43 -39.24 65.17 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.729 HG12 ' HA ' ' A' ' 55' ' ' VAL . 70.2 mt -64.36 -34.28 68.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.19 -35.56 81.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.16 -44.36 76.16 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.85 -23.66 31.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.78 -46.55 62.68 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.43 64.45 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.489 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 54.5 t80 -68.76 -49.69 56.62 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.467 -0.771 . . . . 0.0 109.061 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -70.25 -26.86 64.03 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.794 -0.566 . . . . 0.0 109.961 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -63.87 -42.23 97.56 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.4 -39.67 94.3 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.573 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 61.7 mt -62.97 -36.88 77.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.593 -0.692 . . . . 0.0 109.586 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.4 m -68.44 -41.28 80.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.432 -0.793 . . . . 0.0 109.967 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.96 -34.15 73.02 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.418 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 22.0 t80 -65.22 -42.25 93.63 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.44 -0.788 . . . . 0.0 108.893 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 27.6 mt -63.31 -35.56 80.77 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -34.87 77.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.41 -0.806 . . . . 0.0 109.359 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.59 -52.9 48.63 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.623 -0.673 . . . . 0.0 109.736 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 136' ' ' SER . 14.5 mptt -79.3 1.47 24.89 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.765 -0.584 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 56.53 46.31 20.77 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.393 -0.817 . . . . 0.0 109.799 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 58.38 52.79 6.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.766 -0.584 . . . . 0.0 110.412 178.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.48 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.0 m -80.43 162.82 59.63 Favored Pre-proline 0 C--O 1.217 -0.644 0 O-C-N 121.309 -0.87 . . . . 0.0 109.378 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -69.86 -41.74 3.89 Favored 'Trans proline' 0 C--N 1.351 0.668 0 O-C-N 123.802 1.422 . . . . 0.0 111.114 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.79 -42.11 91.14 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.613 -0.679 . . . . 0.0 109.346 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.02 85.39 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.561 -0.712 . . . . 0.0 109.625 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 10.2 m95 -66.49 -34.8 78.74 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.518 -0.739 . . . . 0.0 110.429 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.18 -37.93 66.35 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.589 HG22 ' HB3' ' A' ' 32' ' ' ASP . 48.4 t -60.78 -38.64 79.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 147' ' ' ILE . 59.8 t -73.6 -30.06 28.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.452 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 3.0 tmt_? -60.71 -52.09 66.59 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.132 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.01 85.96 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.411 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 4.8 mm-40 -70.42 -29.28 65.85 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.775 -0.578 . . . . 0.0 110.379 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.5 mm -77.2 -30.95 17.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 O-C-N 121.306 -0.872 . . . . 0.0 109.102 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.463 ' HG3' HD21 ' A' ' 15' ' ' LEU . 23.7 ttm -73.83 -39.56 63.95 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.482 -0.761 . . . . 0.0 109.056 178.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 149' ' ' ARG . 12.8 mmt180 -72.71 -40.69 65.96 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 121.511 -0.743 . . . . 0.0 109.624 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.583 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.0 p -66.75 -38.49 86.73 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.439 -0.788 . . . . 0.0 109.628 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.49 ' HB3' HD23 ' A' ' 15' ' ' LEU . 56.4 t80 -72.29 -40.38 67.6 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.499 -0.751 . . . . 0.0 109.552 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 92.1 p -65.84 -34.56 78.44 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.276 -0.89 . . . . 0.0 108.691 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.427 HD12 ' HB2' ' A' ' 40' ' ' GLN . 68.6 mt -68.58 -37.15 79.62 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.694 -0.629 . . . . 0.0 109.454 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.579 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 28.2 p -66.45 -36.6 83.19 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.476 -0.765 . . . . 0.0 109.409 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.435 ' CG2' ' HB3' ' A' ' 11' ' ' SER . 18.2 p -97.12 1.29 49.77 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.847 -0.533 . . . . 0.0 110.54 -176.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.215 -0.724 0 O-C-N 121.156 -0.965 . . . . 0.0 110.52 179.293 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.217 -0.654 0 CA-C-O 120.985 0.421 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -62.5 -39.76 94.54 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 49.7 mmm-85 -69.47 -33.69 73.28 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.691 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -63.23 -43.32 98.41 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.42 -0.8 . . . . 0.0 108.98 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.531 HD21 ' HG3' ' A' ' 148' ' ' MET . 98.1 mt -68.38 -30.92 69.97 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.7 ttp -65.49 -36.89 85.2 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' HG3' ' A' ' 87' ' ' GLU . 81.6 mt -62.85 -44.4 96.23 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.4 mt -59.29 -40.78 87.23 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.822 -0.549 . . . . 0.0 109.712 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.21 97.37 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.475 -0.766 . . . . 0.0 109.743 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.84 -33.08 73.22 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.439 -0.788 . . . . 0.0 109.957 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.479 ' HE2' ' CD2' ' A' ' 67' ' ' PHE . 21.6 mtp -66.19 -23.43 66.45 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.434 -0.791 . . . . 0.0 110.963 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -49.68 128.0 16.98 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 2.4 mtmp? -109.35 -28.44 8.96 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.856 -0.527 . . . . 0.0 109.882 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 137' ' ' PRO . 2.4 pt -129.42 171.7 16.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 121.467 -0.771 . . . . 0.0 109.929 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -86.18 137.63 32.5 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.554 -0.717 . . . . 0.0 109.077 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.84 -32.92 74.84 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.636 -0.665 . . . . 0.0 109.378 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -63.28 -37.73 88.38 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.8 m -65.86 -29.46 69.91 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.415 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 67.2 m -105.15 47.39 0.88 Allowed 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.451 -0.781 . . . . 0.0 110.301 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 mt -85.13 -2.4 57.97 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.152 -0.967 . . . . 0.0 110.031 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -81.83 -30.67 32.04 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.416 -0.802 . . . . 0.0 108.982 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -108.14 23.08 15.04 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.614 -0.678 . . . . 0.0 109.93 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HA ' HG23 ' A' ' 142' ' ' VAL . 40.0 ttt-85 -82.82 114.63 21.27 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.952 -1.092 . . . . 0.0 109.207 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -145.13 127.47 15.86 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -74.1 136.19 42.97 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.324 -0.86 . . . . 0.0 109.182 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 59.8 m-85 -87.11 -41.66 13.63 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.559 -0.713 . . . . 0.0 109.771 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.17 71.15 0.62 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 89.9 t80 -67.23 132.76 93.4 Favored Pre-proline 0 C--O 1.217 -0.625 0 O-C-N 121.54 -0.977 . . . . 0.0 108.932 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.3 Cg_endo -81.88 68.28 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 O-C-N 123.653 1.343 . . . . 0.0 111.291 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 5.2 tp60 -73.11 -20.02 61.03 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.233 -0.917 . . . . 0.0 108.796 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.54 -30.03 69.5 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.286 -0.884 . . . . 0.0 108.856 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -88.89 11.21 18.65 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.548 -0.72 . . . . 0.0 109.439 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.492 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 12.4 m-85 . . . . . 0 C--O 1.215 -0.712 0 O-C-N 121.416 -0.802 . . . . 0.0 109.109 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.503 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.3 p . . . . . 0 C--O 1.211 -0.973 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.567 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 58.7 mt -45.42 -46.17 33.6 Favored Pre-proline 0 C--O 1.213 -0.846 0 O-C-N 121.479 -0.763 . . . . 0.0 111.68 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.0 Cg_endo -65.27 -39.37 23.16 Favored 'Trans proline' 0 C--N 1.355 0.918 0 O-C-N 123.017 1.009 . . . . 0.0 110.985 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.696 ' HA ' HG12 ' A' ' 116' ' ' ILE . 16.1 t -69.78 -37.76 74.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.587 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 20.3 mt -65.55 -34.54 78.49 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -60.18 -46.54 89.37 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' CD ' HG21 ' A' ' 116' ' ' ILE . 3.8 tm-20 -69.28 -30.62 68.76 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.461 -0.775 . . . . 0.0 109.07 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 tpp -63.2 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.465 -0.772 . . . . 0.0 109.126 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.585 HG21 ' CD2' ' A' ' 88' ' ' LEU . 8.0 mm -73.8 -30.31 28.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 O-C-N 121.321 -0.862 . . . . 0.0 109.227 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -73.12 -32.07 64.7 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.469 -0.769 . . . . 0.0 109.447 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 123' ' ' PHE . 4.0 mm100 -76.02 -40.54 53.34 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.376 -0.827 . . . . 0.0 109.678 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.504 HG22 ' CE1' ' A' ' 67' ' ' PHE . 83.8 mt -75.24 -29.61 21.8 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 121.316 -0.865 . . . . 0.0 108.779 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 88' ' ' LEU . 28.8 t80 -65.22 -44.59 87.81 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.311 -0.868 . . . . 0.0 109.365 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -79.87 -38.75 32.02 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.469 -0.77 . . . . 0.0 110.053 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.2 -31.34 68.94 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.394 -0.816 . . . . 0.0 109.379 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.504 ' CE1' HG22 ' A' ' 63' ' ' ILE . 10.2 m-85 -95.62 -27.09 15.49 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.574 -0.704 . . . . 0.0 109.945 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -75.18 -22.59 57.93 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.282 -0.886 . . . . 0.0 110.39 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.4 p -51.38 148.87 4.54 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.394 -0.817 . . . . 0.0 110.263 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.56 -26.69 67.1 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.597 -0.689 . . . . 0.0 109.805 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.4 p30 -74.81 -32.59 62.03 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 20.8 t -90.76 -29.44 17.64 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.298 -0.876 . . . . 0.0 109.752 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 38.3 t -66.87 -37.03 83.66 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.76 34.69 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.08 86.08 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.568 -0.707 . . . . 0.0 109.805 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.462 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 82.4 m95 -107.77 171.99 7.08 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.359 0.599 . . . . 0.0 109.767 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -68.4 130.84 44.06 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.3 pp20? -63.33 -26.9 68.98 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.404 -0.81 . . . . 0.0 110.482 -178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.8 m -77.93 -45.01 25.18 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.059 -1.025 . . . . 0.0 108.869 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.19 -38.41 91.05 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.8 mt -71.41 -33.14 69.19 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 8.9 t70 -55.56 -48.51 74.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.71 -33.42 74.86 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.445 ' HD1' HD11 ' A' ' 17' ' ' LEU . 25.3 t80 -67.18 -27.54 67.36 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.658 -0.651 . . . . 0.0 109.694 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -78.41 -43.83 26.43 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.125 -0.984 . . . . 0.0 109.156 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.2 m -64.3 -37.74 88.55 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.8 -0.563 . . . . 0.0 109.565 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.54 ' HG3' HD13 ' A' ' 17' ' ' LEU . 48.0 mm-40 -72.22 -36.83 69.25 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 121.484 -0.76 . . . . 0.0 109.41 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.585 ' CD2' HG21 ' A' ' 60' ' ' ILE . 47.3 mt -66.23 -37.03 84.57 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.55 -0.719 . . . . 0.0 109.766 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.29 -39.52 59.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.342 -0.849 . . . . 0.0 109.993 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.78 -48.4 69.13 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.364 -0.835 . . . . 0.0 109.563 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.64 -28.25 69.49 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.504 -0.748 . . . . 0.0 109.066 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.536 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 2.0 mt -67.14 -43.77 81.49 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.406 -0.809 . . . . 0.0 108.975 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -60.78 -36.82 79.95 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -66.96 -41.23 87.26 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.558 -0.714 . . . . 0.0 109.274 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.449 HD21 HG21 ' A' ' 53' ' ' ILE . 49.9 mt . . . . . 0 C--O 1.218 -0.581 0 O-C-N 121.737 -0.602 . . . . 0.0 110.264 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--O 1.215 -0.727 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.492 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 19.5 t -66.54 -40.03 88.86 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.696 HG12 ' HA ' ' A' ' 55' ' ' VAL . 53.2 mt -68.72 -31.22 49.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.414 HD22 ' HD3' ' A' ' 120' ' ' ARG . 6.2 mt -68.23 -33.78 75.02 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.85 -48.69 73.4 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.76 -30.85 51.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.414 ' HD3' HD22 ' A' ' 117' ' ' LEU . 72.5 ttt180 -68.1 -40.23 82.66 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.246 -0.909 . . . . 0.0 109.697 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -68.47 -35.99 78.34 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.408 -0.808 . . . . 0.0 108.925 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 83.0 t80 -63.85 -47.24 81.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 62' ' ' GLN . 13.1 m-85 -70.46 -26.01 63.44 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.754 -0.591 . . . . 0.0 110.107 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -64.28 -41.34 96.95 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -67.63 -38.36 83.76 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 122' ' ' TYR . 57.8 mt -62.27 -38.04 80.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.525 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.1 m -67.32 -41.28 85.56 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.405 -0.809 . . . . 0.0 109.666 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.482 HD12 ' HE3' ' A' ' 131' ' ' LYS . 4.2 mm? -67.95 -36.21 79.72 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.425 -0.797 . . . . 0.0 109.579 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -63.24 -38.86 92.83 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.498 -0.751 . . . . 0.0 109.342 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 135' ' ' TYR . 64.0 mt -67.28 -42.43 83.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.759 -0.588 . . . . 0.0 109.478 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.482 ' HE3' HD12 ' A' ' 128' ' ' LEU . 56.0 mtmt -70.57 -24.02 62.7 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.802 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.01 -49.17 25.57 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.4 mptt -80.67 1.86 28.28 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.574 -0.704 . . . . 0.0 109.796 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp 60.73 40.02 16.71 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.384 -0.823 . . . . 0.0 109.924 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 130' ' ' LEU . 67.2 m-85 58.83 51.66 7.29 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.703 -0.623 . . . . 0.0 110.43 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.452 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 38.2 m -79.21 160.6 70.4 Favored Pre-proline 0 C--O 1.217 -0.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.254 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.8 -36.15 14.4 Favored 'Trans proline' 0 C--N 1.35 0.638 0 O-C-N 123.744 1.392 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.42 -41.99 75.61 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.475 -0.766 . . . . 0.0 109.145 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.45 83.85 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.583 -0.698 . . . . 0.0 109.63 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.457 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.0 m95 -68.95 -39.3 79.6 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 110.055 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.7 -36.53 82.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 109.145 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.566 HG23 ' HA ' ' A' ' 33' ' ' ARG . 55.4 t -62.67 -42.82 97.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.36 -24.2 21.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 121.722 -0.611 . . . . 0.0 109.763 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.464 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 0.2 OUTLIER -69.99 -47.01 63.92 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.091 -1.006 . . . . 0.0 108.888 179.405 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.11 79.74 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.445 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 56.5 mm-40 -66.52 -37.16 84.42 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.635 -0.665 . . . . 0.0 109.409 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 mm -69.42 -36.95 74.15 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.531 ' HG3' HD21 ' A' ' 15' ' ' LEU . 25.7 ttm -63.89 -49.68 71.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.503 -0.748 . . . . 0.0 109.882 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.61 -44.4 90.69 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.686 -0.634 . . . . 0.0 110.21 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.513 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 64.8 m -65.37 -30.83 71.7 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.558 ' HE1' ' CD1' ' A' ' 60' ' ' ILE . 34.2 t80 -71.64 -42.57 67.41 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.567 -0.708 . . . . 0.0 109.579 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.8 t -65.96 -35.88 81.8 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.538 -0.726 . . . . 0.0 109.234 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 62.7 mt -65.62 -48.49 72.05 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.646 -0.659 . . . . 0.0 110.046 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 12.4 m -63.86 -45.21 90.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.615 -0.678 . . . . 0.0 110.147 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.482 HG22 ' CE2' ' A' ' 151' ' ' PHE . 67.8 p -78.12 -7.97 57.66 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.447 -0.783 . . . . 0.0 110.875 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.0 t30 . . . . . 0 CA--C 1.542 0.65 0 O-C-N 120.892 -1.13 . . . . 0.0 110.484 179.793 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.501 ' HB3' HG22 ' A' ' 155' ' ' THR . 66.0 m . . . . . 0 C--O 1.216 -0.679 0 CA-C-O 120.847 0.356 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -48.03 77.91 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.373 -0.829 . . . . 0.0 110.07 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.18 -30.19 66.11 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.303 -0.873 . . . . 0.0 110.061 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.534 ' CG2' ' HE1' ' A' ' 84' ' ' PHE . 88.8 m -61.58 -43.56 98.64 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.208 -0.933 . . . . 0.0 109.154 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HG ' ' HD2' ' A' ' 151' ' ' PHE . 34.4 mt -70.98 -32.2 68.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 ttp -63.59 -35.39 80.36 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD11 ' HD1' ' A' ' 84' ' ' PHE . 45.6 mt -63.67 -46.66 84.59 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 mt -57.48 -35.33 70.05 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.869 -0.519 . . . . 0.0 109.78 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.85 88.18 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.826 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.17 -34.91 73.58 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.477 -0.764 . . . . 0.0 109.832 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.461 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 16.0 mtm -66.1 -27.86 68.38 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.417 -0.802 . . . . 0.0 110.097 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -47.48 122.69 4.95 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.576 -0.703 . . . . 0.0 109.919 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 11.9 mtpt -106.69 -33.18 7.69 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.448 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -128.43 171.41 16.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.648 -0.657 . . . . 0.0 110.055 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -92.56 151.85 19.93 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.673 -0.642 . . . . 0.0 109.588 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.43 -31.69 72.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -68.04 -38.4 82.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.456 -0.778 . . . . 0.0 109.093 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.5 m -66.91 -29.14 68.95 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.487 -0.758 . . . . 0.0 109.12 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 32.0 m -108.88 51.2 0.75 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.56 -0.713 . . . . 0.0 110.057 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.7 mt -82.0 -0.91 46.33 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.119 -0.988 . . . . 0.0 110.231 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.43 -27.13 34.84 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.282 -0.886 . . . . 0.0 109.063 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.0 21.19 16.84 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 109.434 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HA ' HG23 ' A' ' 142' ' ' VAL . 26.9 tpt180 -78.2 123.12 26.55 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.117 -0.989 . . . . 0.0 110.075 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 123.12 5.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.8 121.08 16.55 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.433 -0.792 . . . . 0.0 109.471 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.515 ' HE2' ' HB2' ' A' ' 129' ' ' TYR . 77.3 m-85 -75.93 -52.6 9.94 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.649 -0.657 . . . . 0.0 109.498 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.88 66.3 0.34 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.499 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 68.9 t80 -66.29 127.67 93.4 Favored Pre-proline 0 C--O 1.215 -0.717 0 O-C-N 121.519 -0.989 . . . . 0.0 108.782 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 54.3 Cg_endo -79.58 71.53 6.99 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.748 1.394 . . . . 0.0 111.108 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -75.06 -15.29 60.63 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.304 -0.872 . . . . 0.0 109.308 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.59 -31.32 69.35 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.289 -0.882 . . . . 0.0 108.793 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 2.4 tp10 -93.29 24.14 4.04 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.488 -0.758 . . . . 0.0 109.352 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 26.6 m-85 . . . . . 0 CA--C 1.543 0.677 0 O-C-N 121.181 -0.95 . . . . 0.0 109.59 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.486 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 38.2 p . . . . . 0 C--O 1.209 -1.055 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.552 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 76.9 mt -47.78 -48.39 60.68 Favored Pre-proline 0 C--O 1.216 -0.684 0 O-C-N 121.364 -0.835 . . . . 0.0 111.22 -178.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -65.24 -35.52 40.59 Favored 'Trans proline' 0 C--N 1.353 0.801 0 O-C-N 123.247 1.13 . . . . 0.0 110.696 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.719 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.9 t -69.96 -38.57 75.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.588 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 86.1 mt -69.26 -29.85 67.84 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -67.48 -45.33 76.21 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.458 -0.776 . . . . 0.0 109.122 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' HG22 ' A' ' 116' ' ' ILE . 1.1 tm-20 -74.45 -29.8 61.61 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.193 -0.942 . . . . 0.0 109.73 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -66.4 -45.93 78.31 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.277 -0.889 . . . . 0.0 109.159 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' A' ' 88' ' ' LEU . 26.9 mt -71.01 -24.22 24.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 121.616 -0.677 . . . . 0.0 109.325 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -72.87 -35.14 67.11 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.08 -39.28 75.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.715 -0.616 . . . . 0.0 109.461 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 67' ' ' PHE . 73.5 mt -71.67 -34.34 51.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.438 ' CZ ' ' CE2' ' A' ' 89' ' ' TYR . 46.1 t80 -59.71 -44.07 93.85 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.464 -0.773 . . . . 0.0 109.581 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -79.71 -38.89 32.42 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.586 -0.697 . . . . 0.0 109.94 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.1 tp -57.43 -32.33 66.79 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.469 -0.769 . . . . 0.0 109.803 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 63' ' ' ILE . 25.4 m-85 -96.23 -29.62 13.92 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 109.806 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.2 t -68.39 -20.81 64.7 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.357 -0.839 . . . . 0.0 110.259 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 p -55.31 149.95 12.11 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.934 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 48.0 mmtm -64.31 -21.9 66.77 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.56 -0.713 . . . . 0.0 110.241 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 0.8 OUTLIER -76.2 -37.66 57.5 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.685 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.48 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 29.5 t -82.08 -30.7 31.14 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.217 -0.927 . . . . 0.0 109.838 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.538 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 98.6 p -66.45 -37.74 85.81 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.523 -0.736 . . . . 0.0 109.241 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -20.48 43.96 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.56 -32.97 62.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CE3' ' HD2' ' A' ' 23' ' ' LYS . 80.5 m95 -117.82 174.34 6.24 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.562 -0.711 . . . . 0.0 109.929 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.34 133.76 48.24 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -65.56 -29.09 69.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.475 -0.765 . . . . 0.0 110.522 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.9 m -78.43 -42.46 29.98 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 96.4 mt -64.74 -37.48 87.75 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.538 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.23 -33.21 69.67 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.65 -49.15 75.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.93 -33.61 76.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.575 ' HD1' HD11 ' A' ' 17' ' ' LEU . 7.6 t80 -66.44 -30.71 71.13 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.725 -0.609 . . . . 0.0 109.68 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -74.89 -41.47 59.7 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.196 -0.94 . . . . 0.0 109.25 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.7 m -65.8 -38.47 89.06 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.621 -0.674 . . . . 0.0 109.516 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' HG3' HD13 ' A' ' 17' ' ' LEU . 63.2 mm-40 -74.46 -30.5 61.89 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.454 -0.778 . . . . 0.0 109.682 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' A' ' 60' ' ' ILE . 48.4 mt -69.92 -35.33 74.48 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CE2' ' CZ ' ' A' ' 64' ' ' PHE . 2.2 m-85 -72.27 -38.17 68.87 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.7 -0.625 . . . . 0.0 109.919 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -71.65 -39.56 70.26 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.317 -0.865 . . . . 0.0 109.683 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.438 ' HB3' ' CD1' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -65.92 -36.22 82.78 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.23 -50.6 67.37 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -54.87 -43.27 73.0 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.941 -0.474 . . . . 0.0 109.929 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.41 -46.97 86.16 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.35 -0.844 . . . . 0.0 108.781 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.217 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 109.977 178.743 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 2.8 p30 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.578 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 32.6 t -69.42 -41.72 75.97 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.719 HG12 ' HA ' ' A' ' 55' ' ' VAL . 78.2 mt -68.67 -37.73 77.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 114' ' ' ASP . 43.4 mt -63.7 -34.17 77.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.76 -0.588 . . . . 0.0 109.487 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.437 ' C ' ' HG3' ' A' ' 39' ' ' PRO . . . -65.91 -44.73 84.33 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.75 -25.6 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -71.33 -44.52 64.93 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.152 -0.967 . . . . 0.0 109.768 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -71.64 -26.44 62.55 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.373 -0.829 . . . . 0.0 109.233 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.439 ' O ' HG13 ' A' ' 126' ' ' ILE . 80.7 t80 -68.13 -52.03 39.48 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.434 -0.791 . . . . 0.0 109.038 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -67.49 -27.36 66.94 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.746 -0.596 . . . . 0.0 109.929 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.74 -42.02 99.46 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -66.6 -37.16 84.31 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.502 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 64.6 mt -63.08 -37.54 79.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.62 -0.675 . . . . 0.0 109.522 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -67.33 -41.62 84.95 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.395 -0.816 . . . . 0.0 109.667 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -33.89 73.82 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.299 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.515 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 20.6 t80 -65.0 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.498 -0.751 . . . . 0.0 109.328 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 50.1 mt -68.01 -39.25 83.2 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.692 -0.63 . . . . 0.0 109.506 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.8 -25.37 61.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.099 -1.0 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.2 -47.6 49.41 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.298 -0.876 . . . . 0.0 109.124 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -81.9 2.86 28.52 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.88 -0.513 . . . . 0.0 109.83 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 61.86 36.48 15.94 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.504 -0.748 . . . . 0.0 110.034 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.454 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 64.8 m-85 58.28 49.19 11.44 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.632 -0.667 . . . . 0.0 110.181 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.465 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 25.4 m -78.16 161.63 69.87 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.295 -0.878 . . . . 0.0 109.497 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.2 Cg_endo -69.19 -34.27 16.86 Favored 'Trans proline' 0 C--N 1.352 0.718 0 O-C-N 123.773 1.407 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.41 -39.26 68.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.417 -0.802 . . . . 0.0 109.078 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.02 94.77 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.48 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 24.1 m95 -67.89 -31.56 71.45 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.632 -0.667 . . . . 0.0 109.76 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -65.86 -39.97 91.23 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.332 -0.855 . . . . 0.0 108.898 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' A' ' 33' ' ' ARG . 55.7 t -67.34 -41.37 86.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.1 t -70.86 -23.27 23.65 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 121.623 -0.673 . . . . 0.0 109.509 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.438 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 27.6 ttp85 -72.69 -46.71 52.37 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.542 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.05 75.23 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.79 -37.58 70.41 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.617 -0.677 . . . . 0.0 109.686 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -68.83 -38.03 78.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 O-C-N 121.311 -0.868 . . . . 0.0 108.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.409 ' HG3' HD21 ' A' ' 15' ' ' LEU . 31.9 ttm -64.06 -49.91 70.46 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.608 -0.683 . . . . 0.0 109.832 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -33.22 74.41 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.771 -0.581 . . . . 0.0 111.06 -178.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.9 m -72.48 -49.31 33.99 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.164 -0.96 . . . . 0.0 109.329 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.45 ' HD2' ' HG ' ' A' ' 15' ' ' LEU . 40.9 t80 -65.87 -31.53 72.53 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.589 -0.694 . . . . 0.0 109.483 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.522 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 39.0 m -71.81 -40.96 68.81 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.17 -43.36 99.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 121.215 0.531 . . . . 0.0 109.94 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.588 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.7 m -65.74 -37.72 87.17 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.703 -0.623 . . . . 0.0 110.082 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.501 HG22 ' HB3' ' A' ' 11' ' ' SER . 66.8 p -92.13 1.82 56.97 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.439 -0.788 . . . . 0.0 110.272 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 152' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.211 -0.942 0 O-C-N 121.258 -0.901 . . . . 0.0 111.099 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.487 ' HB2' HG23 ' A' ' 155' ' ' THR . 35.0 p . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 120.833 0.349 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -63.9 -36.78 85.06 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.409 -0.807 . . . . 0.0 109.367 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -67.78 -35.35 78.51 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.561 -0.712 . . . . 0.0 109.284 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.5 m -62.24 -44.39 96.67 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.581 -0.7 . . . . 0.0 109.204 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.52 HD21 ' HG3' ' A' ' 148' ' ' MET . 95.7 mt -68.45 -32.93 73.3 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.583 -0.698 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.6 ttp -64.89 -38.32 90.57 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.302 -0.874 . . . . 0.0 108.876 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 84' ' ' PHE . 79.9 mt -63.33 -40.84 98.42 Favored 'General case' 0 C--O 1.212 -0.868 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.487 HD11 ' HA ' ' A' ' 15' ' ' LEU . 48.6 mt -61.18 -36.25 79.33 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.758 -0.589 . . . . 0.0 109.626 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.02 90.97 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.5 -0.75 . . . . 0.0 109.572 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -71.09 -30.33 66.41 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.293 -0.879 . . . . 0.0 109.601 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.459 ' HE2' ' CD2' ' A' ' 67' ' ' PHE . 34.9 mtp -68.23 -27.28 66.22 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.534 -0.729 . . . . 0.0 110.041 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -49.22 126.4 12.75 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.455 -0.778 . . . . 0.0 109.519 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.574 ' HG3' ' HZ3' ' A' ' 76' ' ' TRP . 17.3 mtpt -112.64 -27.13 8.31 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.794 -0.566 . . . . 0.0 109.676 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 pt -128.73 170.34 18.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 O-C-N 121.447 -0.783 . . . . 0.0 109.952 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m -84.09 137.64 33.46 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.566 ' O ' HD11 ' A' ' 30' ' ' LEU . 53.9 tp -60.74 -39.86 90.28 Favored 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.694 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 83.1 m-85 -60.81 -40.13 91.55 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -59.83 -30.58 69.04 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.0 m -102.53 50.6 0.82 Allowed 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.648 -0.658 . . . . 0.0 109.6 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.694 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -88.64 10.88 19.07 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.332 -0.855 . . . . 0.0 109.719 178.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -97.23 -25.38 15.3 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.299 -0.876 . . . . 0.0 109.395 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -116.32 23.32 12.19 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.423 -0.798 . . . . 0.0 109.896 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.532 ' HA ' HG23 ' A' ' 142' ' ' VAL . 79.8 ttt180 -86.36 123.57 31.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.008 -1.057 . . . . 0.0 109.292 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -144.71 132.38 21.07 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.76 114.2 7.73 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.503 -0.748 . . . . 0.0 109.157 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.613 ' HE1' ' HB2' ' A' ' 129' ' ' TYR . 60.4 m-85 -69.38 -51.94 31.9 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.119 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.59 67.71 0.54 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 54.1 t80 -72.28 133.18 83.49 Favored Pre-proline 0 C--O 1.216 -0.664 0 O-C-N 121.633 -0.922 . . . . 0.0 109.195 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.592 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 53.5 Cg_endo -79.83 81.07 2.87 Favored 'Trans proline' 0 C--N 1.352 0.73 0 O-C-N 123.722 1.38 . . . . 0.0 110.89 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 5.4 tm0? -88.4 -17.91 29.48 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.242 -0.911 . . . . 0.0 109.49 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.66 -32.39 69.05 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -94.22 26.74 3.17 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.351 -0.843 . . . . 0.0 109.271 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CZ ' HG12 ' A' ' 55' ' ' VAL . 8.1 m-85 . . . . . 0 C--O 1.211 -0.922 0 O-C-N 121.275 -0.89 . . . . 0.0 109.772 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.502 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.9 p . . . . . 0 C--O 1.208 -1.127 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.6 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 37.6 mt -54.36 -41.98 91.82 Favored Pre-proline 0 C--O 1.214 -0.787 0 O-C-N 120.933 -1.104 . . . . 0.0 110.685 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.2 Cg_endo -68.9 -37.25 11.72 Favored 'Trans proline' 0 C--N 1.356 0.958 0 O-C-N 123.06 1.032 . . . . 0.0 110.301 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.753 ' HA ' HG12 ' A' ' 116' ' ' ILE . 41.3 t -68.77 -47.14 77.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.588 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 67.3 mt -60.24 -35.05 74.6 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -60.53 -47.97 83.84 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.64 -0.663 . . . . 0.0 109.393 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.61 ' HG2' ' CG2' ' A' ' 116' ' ' ILE . 5.4 tp10 -69.35 -30.66 68.73 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.268 -0.895 . . . . 0.0 109.486 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 ttm -64.5 -39.9 94.64 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.369 -0.832 . . . . 0.0 108.899 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.637 ' CG2' ' HG ' ' A' ' 92' ' ' LEU . 9.6 mm -65.68 -36.15 76.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.36 -33.88 71.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.505 -0.747 . . . . 0.0 109.619 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.39 -40.28 74.04 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.351 -0.843 . . . . 0.0 109.328 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' A' ' 67' ' ' PHE . 75.2 mt -75.89 -25.18 17.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.558 ' HA ' HD11 ' A' ' 88' ' ' LEU . 56.6 t80 -68.94 -43.43 75.09 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 121.275 -0.891 . . . . 0.0 109.537 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -81.52 -35.1 30.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.482 -0.761 . . . . 0.0 109.645 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.3 -32.43 71.2 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.485 -0.759 . . . . 0.0 109.355 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CE1' HG22 ' A' ' 63' ' ' ILE . 10.9 m-85 -96.76 -27.58 14.67 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.527 -0.733 . . . . 0.0 110.017 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.7 t -70.0 -22.95 63.07 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.296 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.3 p -53.47 147.63 10.5 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.315 -0.866 . . . . 0.0 109.922 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -60.55 -23.54 64.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.564 -0.71 . . . . 0.0 109.99 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 46.0 m-20 -72.52 -43.79 63.08 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 109.456 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.525 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 9.5 t -79.8 -30.37 40.56 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.351 -0.843 . . . . 0.0 109.616 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.551 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 32.7 t -65.35 -37.19 86.29 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.585 -0.697 . . . . 0.0 109.285 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -24.26 32.09 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.08 67.83 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.574 ' HZ3' ' HG3' ' A' ' 23' ' ' LYS . 73.7 m95 -121.21 170.62 9.4 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.525 -0.735 . . . . 0.0 109.931 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -65.63 133.15 50.54 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.63 -28.98 69.98 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.5 -0.75 . . . . 0.0 110.508 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -78.24 -43.78 27.37 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.048 -1.033 . . . . 0.0 109.063 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.87 -36.66 84.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.551 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.94 -34.04 68.71 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.21 -50.92 69.88 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.22 -35.49 81.22 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.537 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 26.0 t80 -61.57 -31.67 71.72 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.664 -0.647 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -76.21 -32.99 59.26 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.5 m -69.35 -36.02 76.46 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.535 -0.728 . . . . 0.0 109.493 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.91 -28.1 55.16 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.323 -0.861 . . . . 0.0 109.368 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 64' ' ' PHE . 65.1 mt -73.09 -40.11 65.28 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.454 -0.779 . . . . 0.0 109.296 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.458 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.82 -32.97 52.55 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 179.502 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.29 -46.01 74.87 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.428 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 5.9 tp-100 -68.18 -26.56 65.81 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.637 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 7.8 mt -72.7 -35.52 67.65 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.354 -0.841 . . . . 0.0 109.848 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -75.64 -39.97 56.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.256 -0.903 . . . . 0.0 109.0 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -66.04 -39.18 89.94 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.429 HD22 HG22 ' A' ' 53' ' ' ILE . 43.5 mt . . . . . 0 C--O 1.216 -0.676 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--O 1.215 -0.73 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.507 ' HB3' HG23 ' A' ' 55' ' ' VAL . 32.6 t -64.1 -41.22 97.35 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.753 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.9 mt -66.8 -36.62 77.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.436 ' CD2' ' HD2' ' A' ' 120' ' ' ARG . 28.0 mt -62.55 -35.37 79.23 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.85 -0.531 . . . . 0.0 109.629 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.75 -43.31 84.49 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 82.2 t -67.74 -27.91 39.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 O-C-N 121.669 -0.644 . . . . 0.0 109.547 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.436 ' HD2' ' CD2' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.31 -37.24 77.66 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.011 -1.056 . . . . 0.0 109.198 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -72.36 -32.99 66.93 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.359 -0.838 . . . . 0.0 108.935 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.573 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 72.0 t80 -64.25 -50.07 69.41 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.584 -0.698 . . . . 0.0 109.275 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -69.04 -26.6 65.06 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.743 -0.598 . . . . 0.0 110.534 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.24 95.27 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 2.8 tpt85 -65.99 -39.04 89.98 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 122' ' ' TYR . 66.6 mt -61.05 -37.18 76.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 O-C-N 121.551 -0.718 . . . . 0.0 109.369 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.1 m -68.55 -38.41 80.76 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.543 -0.723 . . . . 0.0 109.7 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.66 -38.24 83.52 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.346 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.613 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.5 t80 -62.77 -37.44 86.67 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.555 -0.716 . . . . 0.0 109.291 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.14 -41.52 85.94 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.31 -24.79 63.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.874 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -47.8 45.25 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.345 -0.847 . . . . 0.0 109.408 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 14.3 mptt -83.41 4.48 27.35 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 58.84 39.54 23.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.418 -0.801 . . . . 0.0 109.669 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.9 m-85 60.6 52.8 4.35 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.541 -0.724 . . . . 0.0 109.586 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.462 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 37.2 t -78.48 151.4 77.56 Favored Pre-proline 0 C--O 1.215 -0.737 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.3 Cg_endo -63.49 -31.5 71.54 Favored 'Trans proline' 0 C--N 1.353 0.798 0 O-C-N 123.648 1.341 . . . . 0.0 111.052 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.88 -40.69 54.04 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.264 -0.898 . . . . 0.0 108.863 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.25 82.04 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 19.9 m95 -71.28 -34.99 71.16 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.633 -0.667 . . . . 0.0 109.5 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.82 -37.12 86.55 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 33' ' ' ARG . 56.1 t -68.53 -42.95 83.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 147' ' ' ILE . 96.1 t -69.99 -22.76 24.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 121.767 -0.583 . . . . 0.0 109.596 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.412 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 30.0 ttp85 -71.28 -47.81 54.67 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 120.993 -1.067 . . . . 0.0 108.717 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.01 72.67 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.57 -33.76 66.99 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.603 -0.685 . . . . 0.0 109.749 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 143' ' ' VAL . 12.0 mm -72.1 -37.88 61.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.52 ' HG3' HD21 ' A' ' 15' ' ' LEU . 36.5 ttm -65.02 -34.72 79.12 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 149' ' ' ARG . 20.7 tpp180 -70.84 -57.5 4.55 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 121.776 -0.577 . . . . 0.0 109.976 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.496 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 19.9 p -57.86 -38.69 76.16 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.958 -0.464 . . . . 0.0 109.994 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -71.52 -39.38 70.79 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.411 -0.806 . . . . 0.0 109.575 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.577 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 21.8 t -68.48 -28.81 67.36 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 121.624 -0.672 . . . . 0.0 109.385 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.502 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 38.4 mt -71.97 -45.86 59.5 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.643 -0.661 . . . . 0.0 109.372 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.588 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.1 m -66.5 -40.09 89.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.798 -0.564 . . . . 0.0 110.272 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 11' ' ' SER . 74.6 p -86.65 -10.09 54.57 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.525 -0.734 . . . . 0.0 110.98 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.577 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.7 t-20 . . . . . 0 C--O 1.212 -0.879 0 O-C-N 120.866 -1.146 . . . . 0.0 109.32 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.427 ' HB2' ' HE1' ' A' ' 151' ' ' PHE . 45.5 p . . . . . 0 C--O 1.216 -0.694 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -69.62 -38.14 77.12 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.614 -0.679 . . . . 0.0 109.462 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.596 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 15.8 ttt85 -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.394 -0.816 . . . . 0.0 109.469 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.9 m -68.75 -40.0 80.02 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.062 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.545 ' CD2' ' HB3' ' A' ' 151' ' ' PHE . 31.3 mt -70.65 -40.99 72.7 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.777 -0.577 . . . . 0.0 110.178 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.596 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.5 ptm -63.78 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.109 -0.994 . . . . 0.0 109.074 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.558 HD13 ' HG3' ' A' ' 87' ' ' GLU . 65.6 mt -63.27 -46.38 87.08 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -57.46 -34.89 69.48 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.782 -0.574 . . . . 0.0 109.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.54 72.98 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.473 -0.767 . . . . 0.0 109.686 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.31 -33.41 75.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.431 -0.793 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.7 mtp -67.03 -29.98 69.94 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.405 -0.809 . . . . 0.0 109.747 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -52.2 109.93 0.43 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.609 -0.682 . . . . 0.0 109.694 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -98.69 -35.6 10.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.57 -0.706 . . . . 0.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.4 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 5.2 pt -106.1 172.44 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 O-C-N 121.602 -0.686 . . . . 0.0 109.347 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.0 147.86 24.08 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD11 ' HG3' ' A' ' 141' ' ' GLU . 24.3 tp -65.56 -32.92 74.78 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.24 -39.41 86.17 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -64.04 -27.28 69.0 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.528 -0.732 . . . . 0.0 109.15 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.4 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 20.1 m -113.76 54.34 0.75 Allowed 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.564 -0.71 . . . . 0.0 110.123 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.7 mt -84.03 3.02 36.38 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 120.909 -1.119 . . . . 0.0 110.075 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -80.28 -28.47 38.32 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 109.125 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -105.29 16.0 26.39 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.699 -0.626 . . . . 0.0 110.111 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HA ' HG23 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -65.2 109.01 2.06 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.566 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -148.44 124.1 10.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.696 -0.628 . . . . 0.0 109.383 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -81.6 127.68 33.13 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.476 -0.765 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.617 ' CD2' HG12 ' A' ' 126' ' ' ILE . 20.6 m-30 -82.58 -49.58 9.71 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.47 -0.768 . . . . 0.0 109.376 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.84 71.7 0.45 Allowed Glycine 0 CA--C 1.535 1.295 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.514 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.2 t80 -65.7 130.17 94.48 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.499 -1.001 . . . . 0.0 109.035 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.514 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.2 Cg_endo -75.7 73.4 4.72 Favored 'Trans proline' 0 C--N 1.352 0.762 0 O-C-N 123.775 1.408 . . . . 0.0 110.954 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 4.4 tt0 -79.69 -18.94 50.12 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.348 -0.845 . . . . 0.0 109.402 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.97 -29.06 66.9 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.02 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.2 tp10 -93.84 20.11 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.474 -0.766 . . . . 0.0 109.326 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 28.6 m-85 . . . . . 0 C--O 1.215 -0.742 0 O-C-N 121.355 -0.841 . . . . 0.0 109.692 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.212 -0.914 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.568 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 70.6 mt -49.69 -46.71 79.82 Favored Pre-proline 0 C--O 1.212 -0.901 0 O-C-N 121.425 -0.797 . . . . 0.0 111.814 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.06 -35.86 40.42 Favored 'Trans proline' 0 C--N 1.354 0.834 0 O-C-N 123.141 1.074 . . . . 0.0 110.788 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.593 ' HA ' HG12 ' A' ' 116' ' ' ILE . 8.0 t -68.98 -39.99 80.41 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.565 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 39.1 mt -65.78 -35.64 81.28 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -60.04 -48.84 80.03 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.637 -0.664 . . . . 0.0 109.329 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' HG3' HG22 ' A' ' 116' ' ' ILE . 10.8 mm-40 -70.79 -24.2 62.53 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 119.344 -0.942 . . . . 0.0 109.321 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.2 -36.77 80.07 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.628 HG23 ' CD1' ' A' ' 92' ' ' LEU . 12.6 mm -75.74 -28.01 19.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 O-C-N 121.411 -0.805 . . . . 0.0 109.241 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.79 -36.78 67.67 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.256 -0.902 . . . . 0.0 108.9 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -74.18 -38.92 63.52 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.497 -0.752 . . . . 0.0 110.256 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.528 HG21 ' CD1' ' A' ' 67' ' ' PHE . 76.9 mt -72.84 -36.02 51.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 121.181 -0.95 . . . . 0.0 108.518 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' HD11 ' A' ' 88' ' ' LEU . 41.7 t80 -59.84 -42.81 94.41 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.498 -0.751 . . . . 0.0 109.798 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -80.19 -39.36 29.37 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.468 -0.77 . . . . 0.0 110.117 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.8 tp -58.64 -32.04 68.69 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.33 -0.857 . . . . 0.0 109.487 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.528 ' CD1' HG21 ' A' ' 63' ' ' ILE . 10.9 m-85 -93.82 -31.95 14.16 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.455 -0.778 . . . . 0.0 109.753 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.0 t -65.61 -25.31 67.33 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.5 p -54.19 146.02 16.07 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.213 -0.929 . . . . 0.0 109.544 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.11 -22.27 65.68 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.469 -0.77 . . . . 0.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 52.3 m-20 -68.92 -45.71 70.14 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.496 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 22.5 t -77.95 -29.95 50.12 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.577 -0.702 . . . . 0.0 109.475 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.543 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.7 m -65.48 -36.55 84.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.505 -0.747 . . . . 0.0 109.388 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.49 -26.44 30.22 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.23 72.4 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.588 -0.695 . . . . 0.0 109.967 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.475 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 73.8 m95 -118.84 178.15 4.59 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.589 -0.694 . . . . 0.0 109.529 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.84 135.9 43.44 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -66.25 -29.88 70.2 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.448 -0.782 . . . . 0.0 110.565 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -77.54 -45.56 25.03 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.164 -0.96 . . . . 0.0 108.9 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.65 -35.89 81.08 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.9 mt -72.58 -33.67 66.9 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.41 -51.66 67.53 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.09 -35.36 80.51 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 45.5 t80 -62.1 -35.81 79.84 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.669 -0.645 . . . . 0.0 109.761 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -72.62 -37.07 68.17 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.228 -0.92 . . . . 0.0 109.336 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.3 m -64.93 -42.6 94.52 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.568 -0.708 . . . . 0.0 109.562 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.558 ' HG3' HD13 ' A' ' 17' ' ' LEU . 58.3 mm-40 -68.65 -30.76 69.54 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.37 -0.831 . . . . 0.0 109.366 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 60' ' ' ILE . 36.0 mt -66.89 -45.59 77.56 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.603 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.4 t80 -73.88 -31.69 63.26 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -66.39 -46.85 75.26 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.144 -0.972 . . . . 0.0 108.727 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.44 -30.5 71.53 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.628 ' CD1' HG23 ' A' ' 60' ' ' ILE . 11.2 mt -69.51 -33.75 73.28 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.773 -0.579 . . . . 0.0 109.86 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -69.44 -44.17 71.84 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.276 -0.89 . . . . 0.0 109.313 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.46 -42.51 87.47 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.604 -0.685 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 53' ' ' ILE . 81.1 mt . . . . . 0 C--O 1.216 -0.667 0 O-C-N 121.802 -0.561 . . . . 0.0 109.755 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.507 ' HB3' HG13 ' A' ' 55' ' ' VAL . 68.9 m -69.32 -48.27 62.01 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.593 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.2 mt -68.61 -31.89 52.89 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 O-C-N 121.56 -0.712 . . . . 0.0 109.282 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.1 mt -68.97 -34.77 75.87 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.599 -0.688 . . . . 0.0 109.305 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.48 -44.35 78.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.44 -26.02 34.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -70.96 -43.94 67.09 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.246 -0.909 . . . . 0.0 109.661 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.63 -30.28 67.97 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.406 -0.809 . . . . 0.0 108.918 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 88.8 t80 -65.59 -51.16 61.79 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.65 -28.15 66.63 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.762 -0.587 . . . . 0.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -64.77 -40.5 95.37 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 tpt85 -66.62 -33.58 75.98 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.617 HG12 ' CD2' ' A' ' 36' ' ' PHE . 40.9 mt -67.93 -36.86 77.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 121.523 -0.736 . . . . 0.0 109.178 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.3 m -65.4 -43.64 89.98 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.459 -0.776 . . . . 0.0 109.354 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 31.6 mt -72.12 -31.63 66.2 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.496 -0.753 . . . . 0.0 109.718 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -63.6 -43.66 96.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.7 mt -65.49 -44.22 87.75 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -67.57 -29.12 68.4 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.394 -0.816 . . . . 0.0 109.847 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.51 -46.24 67.01 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.482 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.553 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.3 mptt -83.83 5.04 26.57 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.708 -0.62 . . . . 0.0 109.856 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp 60.73 38.82 18.03 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.515 -0.74 . . . . 0.0 110.171 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 44.0 m-85 57.78 50.15 11.09 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.569 -0.707 . . . . 0.0 109.862 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.41 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 33.5 t -76.9 149.73 80.56 Favored Pre-proline 0 C--O 1.216 -0.703 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.41 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.99 -32.45 53.95 Favored 'Trans proline' 0 C--N 1.353 0.772 0 O-C-N 123.628 1.331 . . . . 0.0 110.603 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.0 m -70.99 -40.82 71.66 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.402 ' HB3' ' HG2' ' A' ' 133' ' ' LYS . . . -65.08 -41.52 94.94 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 21.2 m95 -64.44 -34.52 78.39 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 121.684 -0.635 . . . . 0.0 109.821 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.417 ' HG3' HD11 ' A' ' 26' ' ' LEU . 3.0 tp10 -63.41 -43.28 97.96 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.274 -0.891 . . . . 0.0 108.985 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.464 HG23 ' HA ' ' A' ' 33' ' ' ARG . 51.0 t -62.59 -42.15 94.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 121.788 -0.57 . . . . 0.0 109.551 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.504 ' CG1' HG22 ' A' ' 126' ' ' ILE . 60.4 t -73.55 -25.31 20.81 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.939 0 O-C-N 121.584 -0.698 . . . . 0.0 110.313 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.647 ' HG3' ' N ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -68.97 -49.38 58.44 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.024 -1.047 . . . . 0.0 108.416 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.647 ' N ' ' HG3' ' A' ' 144' ' ' ARG . . . -63.22 -37.24 86.44 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 142' ' ' VAL . 48.7 mt-10 -68.98 -31.71 70.76 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.802 -0.561 . . . . 0.0 110.094 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.1 mm -76.39 -30.79 19.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 121.308 -0.87 . . . . 0.0 109.289 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.523 ' HG3' HD21 ' A' ' 15' ' ' LEU . 32.8 ttm -73.89 -36.72 64.81 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -73.22 -42.54 62.49 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.554 -0.716 . . . . 0.0 109.322 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.429 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 73.7 m -66.2 -35.74 81.23 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.607 -0.683 . . . . 0.0 109.545 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.545 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 20.6 t80 -72.69 -42.72 63.92 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.45 -0.781 . . . . 0.0 109.39 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 76.0 p -64.96 -33.35 75.83 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.12 -42.5 75.99 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.668 -0.645 . . . . 0.0 109.496 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.565 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 16.8 p -64.67 -35.18 80.2 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.699 -0.626 . . . . 0.0 110.023 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 25.4 p -100.34 1.42 41.52 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.759 -0.588 . . . . 0.0 110.909 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 152' ' ' SER . 13.9 t-20 . . . . . 0 CA--C 1.543 0.711 0 O-C-N 121.101 -0.999 . . . . 0.0 109.722 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.6 p . . . . . 0 C--O 1.217 -0.641 0 CA-C-O 120.901 0.382 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -65.91 -38.63 89.19 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -71.54 -37.89 71.09 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.343 -0.848 . . . . 0.0 109.476 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -61.76 -46.07 91.19 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.447 -0.783 . . . . 0.0 109.276 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD21 ' HG3' ' A' ' 148' ' ' MET . 85.2 mt -70.4 -31.97 69.4 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.615 -0.678 . . . . 0.0 109.654 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.6 ttp -63.87 -37.3 86.88 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.254 -0.903 . . . . 0.0 108.652 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 84' ' ' PHE . 94.7 mt -63.63 -43.37 96.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.436 ' HB3' ' HD3' ' A' ' 144' ' ' ARG . 54.5 mt -58.15 -40.37 81.18 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.83 -0.544 . . . . 0.0 109.576 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.76 96.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.668 -0.645 . . . . 0.0 109.793 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.47 -30.17 69.8 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.432 ' HE2' ' CD2' ' A' ' 67' ' ' PHE . 26.5 mtp -68.23 -28.04 66.89 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 144' ' ' ARG . 37.5 ttm180 -56.27 115.28 2.38 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.356 -0.84 . . . . 0.0 109.668 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -100.9 -35.98 9.21 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.373 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 141' ' ' GLU . 6.4 pt -104.5 170.39 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.461 -0.775 . . . . 0.0 109.867 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -89.96 134.38 34.26 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.566 ' O ' HD11 ' A' ' 30' ' ' LEU . 58.9 tp -58.74 -40.07 82.78 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.706 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 93.6 m-85 -58.67 -41.73 86.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -57.94 -31.95 67.33 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.1 m -101.34 50.68 0.85 Allowed 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.706 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -89.88 0.18 57.2 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -93.32 -25.18 17.85 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 109.09 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -104.49 18.39 22.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.53 -0.731 . . . . 0.0 109.57 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.628 ' HA ' HG23 ' A' ' 142' ' ' VAL . 12.7 tpt180 -73.33 119.24 17.29 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.165 -0.959 . . . . 0.0 109.513 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.13 129.6 13.9 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.69 145.01 36.87 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.207 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.491 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 24.2 m-85 -94.97 -39.9 9.95 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.442 -0.786 . . . . 0.0 109.843 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.46 60.01 0.46 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.5 t80 -66.07 132.57 94.61 Favored Pre-proline 0 C--O 1.217 -0.641 0 O-C-N 121.637 -0.92 . . . . 0.0 109.053 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.3 Cg_endo -78.64 62.58 8.33 Favored 'Trans proline' 0 C--N 1.352 0.741 0 O-C-N 123.829 1.437 . . . . 0.0 111.376 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 4.2 tp60 -75.33 -26.8 58.91 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.14 -31.97 63.82 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -97.78 44.96 1.03 Allowed 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 1.7 m-85 . . . . . 0 C--O 1.213 -0.852 0 O-C-N 121.535 -0.728 . . . . 0.0 109.352 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.4 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 25.5 p . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.691 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 84.9 mt -64.19 -37.58 27.26 Favored Pre-proline 0 C--O 1.216 -0.702 0 O-C-N 121.488 -0.757 . . . . 0.0 109.819 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.691 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -64.85 -25.11 60.48 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.049 1.026 . . . . 0.0 110.178 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.736 ' HA ' HG12 ' A' ' 116' ' ' ILE . 13.5 t -71.07 -38.67 72.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 37.7 mt -68.93 -33.87 74.43 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -65.35 -48.01 74.47 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.498 ' HG3' HG22 ' A' ' 116' ' ' ILE . 74.4 mm-40 -72.74 -27.18 61.88 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 ttt -66.53 -48.45 69.69 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.533 HG21 ' CD2' ' A' ' 88' ' ' LEU . 30.6 mt -69.18 -21.85 25.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -73.76 -35.67 65.02 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.73 -35.79 70.28 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.59 -0.693 . . . . 0.0 109.162 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' CE1' ' A' ' 67' ' ' PHE . 75.5 mt -74.88 -29.68 22.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 68' ' ' SER . 37.1 t80 -63.58 -46.72 84.58 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.333 -0.855 . . . . 0.0 109.431 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -78.3 -37.94 43.6 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.627 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.8 tp -57.56 -33.42 68.12 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.444 -0.785 . . . . 0.0 109.399 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 63' ' ' ILE . 17.4 m-85 -95.3 -24.73 16.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.667 -0.646 . . . . 0.0 110.015 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -79.08 -14.76 58.95 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.336 -0.852 . . . . 0.0 110.381 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 p -55.6 151.76 10.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.18 -0.95 . . . . 0.0 110.044 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -62.25 -22.23 65.82 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.588 -0.695 . . . . 0.0 109.751 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 43.7 m-20 -78.61 -40.91 33.09 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.357 -0.84 . . . . 0.0 109.688 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.513 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 21.9 t -79.46 -32.83 42.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 110.141 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 72.3 m -62.63 -35.93 81.18 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.52 -0.738 . . . . 0.0 109.124 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.38 -26.31 30.57 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -67.24 -31.57 72.01 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.544 -0.723 . . . . 0.0 110.333 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.436 ' HB2' HD13 ' A' ' 81' ' ' LEU . 76.8 m95 -120.16 175.08 6.11 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.479 -0.763 . . . . 0.0 109.631 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.73 133.82 46.92 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.9 -28.27 69.42 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.415 -0.803 . . . . 0.0 110.418 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.7 m -78.18 -44.81 24.82 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 108.84 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.0 -37.58 87.74 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.1 mt -71.96 -33.03 67.85 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.2 -50.89 69.96 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -63.87 -35.04 79.35 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.541 ' HA ' HD12 ' A' ' 17' ' ' LEU . 21.2 t80 -64.98 -32.06 73.6 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.805 -0.559 . . . . 0.0 109.877 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.56 -38.59 65.16 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.062 -1.024 . . . . 0.0 109.207 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.4 m -69.23 -36.47 77.25 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 109.682 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HB2' HD13 ' A' ' 17' ' ' LEU . 17.4 tp10 -73.2 -36.07 66.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.302 -0.873 . . . . 0.0 109.157 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.533 ' CD2' HG21 ' A' ' 60' ' ' ILE . 64.3 mt -66.7 -40.37 88.45 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.488 -0.758 . . . . 0.0 109.257 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -72.68 -38.63 67.53 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.472 -0.768 . . . . 0.0 110.426 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -66.92 -48.25 69.24 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.11 -0.994 . . . . 0.0 109.8 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.48 -26.67 68.54 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.422 ' HG ' HG23 ' A' ' 60' ' ' ILE . 14.2 mt -66.92 -50.68 61.61 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.533 -0.73 . . . . 0.0 109.223 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.34 -38.35 73.97 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.642 -0.662 . . . . 0.0 109.582 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.99 -45.73 84.38 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.144 0.497 . . . . 0.0 109.712 178.705 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 C--O 1.215 -0.726 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.402 ' HB2' HG23 ' A' ' 55' ' ' VAL . 3.3 p -65.8 -46.9 76.94 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.341 -0.849 . . . . 0.0 108.878 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.736 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.0 mt -64.51 -31.58 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.941 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 22.6 mt -69.39 -30.39 68.36 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.697 -0.627 . . . . 0.0 109.424 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.85 -48.92 67.33 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.27 -28.28 43.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -67.37 -43.23 81.91 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.291 -0.881 . . . . 0.0 109.85 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -29.24 65.48 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.388 -0.82 . . . . 0.0 109.179 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.518 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 72.7 t80 -65.96 -50.98 62.41 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.567 -0.708 . . . . 0.0 109.225 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -69.06 -27.37 65.58 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.783 -0.573 . . . . 0.0 110.171 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -63.74 -42.55 97.85 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -66.04 -41.79 90.4 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 36' ' ' PHE . 66.1 mt -57.59 -38.5 64.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.1 m -64.68 -42.0 95.67 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.54 -0.725 . . . . 0.0 109.552 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -37.99 88.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.54 -0.725 . . . . 0.0 109.353 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.422 ' CG ' ' HE1' ' A' ' 36' ' ' PHE . 39.2 t80 -61.3 -39.04 88.99 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.544 -0.722 . . . . 0.0 109.347 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 44.1 mt -66.03 -41.0 91.51 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.719 -0.613 . . . . 0.0 109.377 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -70.69 -27.35 63.94 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 109.825 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.78 -48.69 52.95 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.366 -0.834 . . . . 0.0 109.599 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.7 mptt -82.05 3.73 25.67 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.656 -0.652 . . . . 0.0 109.711 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 61.75 35.78 16.63 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.386 -0.821 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.466 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 69.8 m-85 59.61 49.36 8.47 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.539 -0.726 . . . . 0.0 109.685 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.543 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.8 m -76.75 163.97 62.31 Favored Pre-proline 0 C--O 1.218 -0.602 0 O-C-N 121.476 -0.765 . . . . 0.0 109.286 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.2 Cg_endo -68.16 -40.03 9.44 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 O-C-N 123.78 1.411 . . . . 0.0 111.07 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -70.3 -35.41 73.67 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.489 -0.757 . . . . 0.0 109.384 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.26 -38.1 89.86 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.539 -0.726 . . . . 0.0 109.074 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 36.9 m95 -73.8 -33.32 64.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.448 -0.783 . . . . 0.0 109.702 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.489 ' HB2' HD13 ' A' ' 24' ' ' ILE . 34.8 tp10 -63.31 -41.32 98.92 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 33' ' ' ARG . 56.7 t -65.3 -45.18 94.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 147' ' ' ILE . 59.4 t -65.3 -24.18 34.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -65.11 -52.56 54.68 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.499 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.24 -32.24 73.75 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.773 -0.579 . . . . 0.0 109.807 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.55 -36.14 76.06 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 121.591 -0.693 . . . . 0.0 109.906 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 143' ' ' VAL . 30.5 mm -76.79 -34.99 23.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 121.186 -0.947 . . . . 0.0 109.484 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.513 ' HG3' HD21 ' A' ' 15' ' ' LEU . 29.4 ttm -66.98 -47.19 72.32 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.38 -0.825 . . . . 0.0 109.601 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 3.5 mmt180 -72.35 -40.25 67.51 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.702 -0.624 . . . . 0.0 110.575 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 74.9 m -66.58 -43.9 83.68 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.705 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.447 ' HD2' ' HG ' ' A' ' 15' ' ' LEU . 29.8 t80 -67.14 -36.18 81.31 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.581 -0.699 . . . . 0.0 109.371 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -71.41 -30.23 65.83 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.513 -0.742 . . . . 0.0 109.28 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 149' ' ' ARG . 48.4 mt -69.38 -46.12 67.67 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.577 -0.702 . . . . 0.0 109.331 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 18.8 m -66.71 -42.49 86.29 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.762 -0.586 . . . . 0.0 109.681 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 81.9 p -79.24 -8.94 59.42 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.573 -0.704 . . . . 0.0 110.746 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 46.1 t30 . . . . . 0 C--O 1.217 -0.609 0 O-C-N 121.064 -1.023 . . . . 0.0 109.375 178.706 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 120.871 0.367 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -68.37 -46.51 69.87 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.286 -0.884 . . . . 0.0 110.566 -178.661 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.621 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 13.5 ptm180 -74.79 -28.16 60.61 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 m -73.0 -41.5 64.22 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.253 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.461 HD23 ' HB3' ' A' ' 151' ' ' PHE . 56.3 mt -70.59 -40.06 73.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.528 -0.732 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.556 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -63.58 -31.5 72.68 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.003 -1.061 . . . . 0.0 109.066 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 13' ' ' ARG . 53.9 mt -63.39 -45.15 92.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.508 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 63.3 mt -58.99 -30.1 67.71 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.796 -0.565 . . . . 0.0 109.695 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.42 52.58 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.097 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -70.7 -31.97 69.03 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.291 -0.881 . . . . 0.0 110.526 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.615 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 ptp -72.34 -7.79 51.48 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.189 -0.944 . . . . 0.0 110.821 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.88 117.0 4.51 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 120.813 -1.179 . . . . 0.0 110.152 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.615 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.9 mptp? -91.27 -37.21 13.44 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.511 -0.743 . . . . 0.0 109.058 178.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.52 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 3.0 pt -125.81 171.02 15.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-O 121.464 0.65 . . . . 0.0 109.708 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -91.21 151.61 20.87 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.88 -27.84 69.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 109.102 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -67.93 -36.9 80.94 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.42 -0.8 . . . . 0.0 109.363 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -64.62 -23.27 67.21 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.238 -0.914 . . . . 0.0 108.577 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 87.1 m -117.26 55.36 0.85 Allowed 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.672 -0.642 . . . . 0.0 110.282 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD22 ' HD2' ' A' ' 33' ' ' ARG . 35.3 mt -86.98 4.18 42.8 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.07 -1.019 . . . . 0.0 109.952 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -95.94 -23.71 16.73 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.884 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -115.23 28.12 8.91 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.328 -0.858 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HA ' HG23 ' A' ' 142' ' ' VAL . 16.3 ptm180 -105.12 123.5 47.93 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.803 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -149.08 145.59 27.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.27 115.14 5.28 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 37.9 m-85 -69.56 -49.71 51.71 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.561 -0.712 . . . . 0.0 109.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.1 53.71 0.22 Allowed Glycine 0 C--O 1.217 -0.917 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 86.2 t80 -69.18 127.04 93.14 Favored Pre-proline 0 C--O 1.217 -0.648 0 O-C-N 121.492 -1.005 . . . . 0.0 108.929 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 55.2 Cg_endo -81.54 67.41 8.41 Favored 'Trans proline' 0 C--N 1.351 0.666 0 O-C-N 123.823 1.433 . . . . 0.0 111.531 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.415 ' OE1' ' HB3' ' A' ' 153' ' ' LEU . 42.1 tp60 -73.56 -18.05 61.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.239 -0.913 . . . . 0.0 109.371 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.98 -30.88 68.28 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.261 -0.9 . . . . 0.0 109.259 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -98.97 35.91 1.79 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.404 -0.81 . . . . 0.0 109.003 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.464 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 7.0 m-85 . . . . . 0 C--O 1.216 -0.704 0 O-C-N 121.401 -0.812 . . . . 0.0 109.01 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.418 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 10.2 t . . . . . 0 C--O 1.213 -0.867 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.629 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 62.6 mt -57.21 -43.86 99.41 Favored Pre-proline 0 C--O 1.214 -0.798 0 O-C-N 121.285 -0.884 . . . . 0.0 110.84 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -64.44 -32.85 59.46 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 123.112 1.059 . . . . 0.0 110.641 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.54 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.6 t -73.7 -38.56 51.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.579 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 71.8 mt -68.42 -25.43 65.02 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.568 -0.707 . . . . 0.0 109.109 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.581 ' HA ' HD11 ' A' ' 95' ' ' LEU . 59.4 t-80 -71.35 -50.79 28.69 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.328 -0.857 . . . . 0.0 109.407 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.518 ' HG2' ' CG2' ' A' ' 116' ' ' ILE . 15.8 tp10 -73.14 -27.91 61.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.119 -0.988 . . . . 0.0 109.881 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.425 ' HG3' HG12 ' A' ' 119' ' ' VAL . 18.1 ttt -70.69 -47.16 61.3 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.424 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 88' ' ' LEU . 9.5 mt -70.34 -24.14 25.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.429 -0.794 . . . . 0.0 109.019 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.455 ' HA ' HD12 ' A' ' 92' ' ' LEU . 3.2 tm0? -70.67 -40.11 73.16 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.35 -37.93 86.47 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.616 -0.677 . . . . 0.0 109.295 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.457 HG22 ' CE1' ' A' ' 67' ' ' PHE . 76.1 mt -70.86 -28.76 34.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.521 ' HA ' HD11 ' A' ' 88' ' ' LEU . 18.9 t80 -64.03 -51.92 61.9 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.375 -0.828 . . . . 0.0 109.555 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.53 -32.37 62.45 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.781 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.4 -31.76 73.01 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.315 -0.866 . . . . 0.0 109.288 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.457 ' CE1' HG22 ' A' ' 63' ' ' ILE . 23.0 m-85 -100.6 -11.59 19.93 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.581 -0.7 . . . . 0.0 110.101 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 t -91.78 -13.68 31.11 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.194 -0.941 . . . . 0.0 109.743 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.1 p -57.16 151.63 15.13 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.295 -0.878 . . . . 0.0 110.005 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.99 -24.83 67.87 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.585 -0.697 . . . . 0.0 109.679 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 45.6 m-20 -75.99 -38.75 57.05 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.44 -0.788 . . . . 0.0 109.289 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.486 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 88.3 p -78.06 -32.97 51.1 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.668 -0.645 . . . . 0.0 109.947 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.2 t -65.77 -34.01 77.19 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.557 -0.714 . . . . 0.0 109.443 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.27 -25.64 31.42 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.95 -35.91 77.32 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.518 -0.739 . . . . 0.0 110.141 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.448 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 65.8 m95 -116.75 170.41 8.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.689 -0.632 . . . . 0.0 109.813 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.41 134.13 52.81 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.212 -0.91 0 O-C-N 121.543 -0.723 . . . . 0.0 110.193 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -78.71 -44.58 23.19 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.136 -0.977 . . . . 0.0 108.937 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.19 -35.29 78.41 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 10.7 mt -75.24 -32.51 61.13 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.409 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 39.1 m-20 -55.92 -49.85 72.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.42 -39.7 94.34 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.443 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 16.9 t80 -61.95 -26.46 68.21 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 121.739 -0.601 . . . . 0.0 109.875 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.9 m-85 -76.12 -41.02 51.44 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.096 -1.002 . . . . 0.0 109.083 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.0 m -69.37 -32.9 72.25 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.642 -0.661 . . . . 0.0 109.614 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.621 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -74.64 -35.3 62.87 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.285 -0.885 . . . . 0.0 109.643 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 64' ' ' PHE . 74.8 mt -71.22 -41.27 70.43 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.496 -0.753 . . . . 0.0 109.599 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.5 t80 -77.34 -27.11 52.65 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.557 -0.714 . . . . 0.0 110.171 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.94 -49.91 47.15 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.168 -0.957 . . . . 0.0 108.681 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.516 ' HG3' HD13 ' A' ' 95' ' ' LEU . 62.2 tp60 -67.2 -31.95 72.67 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 12.2 mt -66.64 -35.01 79.15 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.498 -0.752 . . . . 0.0 109.693 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -69.42 -42.36 75.13 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.394 -0.816 . . . . 0.0 109.459 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -35.11 74.06 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.492 -0.755 . . . . 0.0 109.582 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.581 HD11 ' HA ' ' A' ' 57' ' ' HIS . 69.3 mt . . . . . 0 C--O 1.217 -0.611 0 O-C-N 121.615 -0.678 . . . . 0.0 109.68 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 51.0 t0 . . . . . 0 C--O 1.214 -0.806 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.47 ' HB2' HG23 ' A' ' 55' ' ' VAL . 21.6 p -63.14 -50.67 69.51 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.38 -0.825 . . . . 0.0 109.514 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.54 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.3 mt -66.5 -35.8 75.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 O-C-N 121.7 -0.625 . . . . 0.0 109.449 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.9 -35.51 80.89 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.55 72.21 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.425 HG12 ' HG3' ' A' ' 59' ' ' MET . 67.9 t -63.35 -28.62 45.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' A' ' 120' ' ' ARG . 5.2 tmm_? -64.76 -48.14 75.65 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.272 -0.893 . . . . 0.0 109.121 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 121' ' ' LYS . 12.7 tmtt? -63.51 -35.76 81.53 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.538 -0.726 . . . . 0.0 109.321 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.495 ' O ' HG13 ' A' ' 126' ' ' ILE . 67.2 t80 -61.03 -53.37 57.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.607 -0.683 . . . . 0.0 109.576 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -70.44 -22.32 62.71 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.673 -0.642 . . . . 0.0 110.404 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.77 -40.67 88.3 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.08 -36.2 77.35 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.545 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 59.4 mt -65.67 -36.45 77.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.8 m -68.56 -42.06 78.86 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.43 -33.82 73.54 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.432 -0.793 . . . . 0.0 109.272 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.424 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 11.4 t80 -62.95 -38.47 91.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 109.196 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.0 mt -68.26 -42.87 78.98 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -69.26 -23.44 63.85 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.304 -0.873 . . . . 0.0 109.871 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.34 -48.94 25.02 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.342 -0.849 . . . . 0.0 109.187 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 136' ' ' SER . 14.6 mptt -83.43 3.89 30.0 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.701 -0.624 . . . . 0.0 109.709 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 59.04 43.6 17.37 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.499 -0.751 . . . . 0.0 109.659 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.6 m-85 58.22 49.38 11.31 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.619 0.723 . . . . 0.0 109.499 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.481 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.6 t -75.81 151.54 84.54 Favored Pre-proline 0 C--O 1.217 -0.654 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.481 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.7 Cg_endo -63.53 -29.32 70.61 Favored 'Trans proline' 0 C--N 1.351 0.71 0 O-C-N 123.693 1.365 . . . . 0.0 110.913 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.31 -39.07 49.19 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.406 -0.809 . . . . 0.0 108.882 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.72 92.19 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.486 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 23.0 m95 -70.23 -34.22 72.6 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.546 -0.721 . . . . 0.0 109.536 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -64.45 -43.59 93.77 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.44 -0.788 . . . . 0.0 109.205 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 33' ' ' ARG . 75.8 t -66.76 -41.54 88.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.437 HG11 HG22 ' A' ' 126' ' ' ILE . 88.5 t -68.0 -24.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.668 -0.645 . . . . 0.0 109.262 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.448 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 35.8 ttp85 -69.04 -48.68 62.28 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.246 -0.909 . . . . 0.0 108.746 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.51 -30.21 68.98 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.406 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 41.3 mm-40 -73.63 -33.81 64.71 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.553 -0.717 . . . . 0.0 109.878 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.7 mm -77.61 -33.47 19.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.454 ' HA ' HD11 ' A' ' 18' ' ' LEU . 26.2 ttm -72.52 -38.66 68.0 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -70.58 -46.69 62.99 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 121.62 -0.675 . . . . 0.0 109.264 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.447 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 80.6 p -62.0 -41.37 97.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.837 -0.539 . . . . 0.0 109.737 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.461 ' HB3' HD23 ' A' ' 15' ' ' LEU . 31.4 t80 -66.29 -41.92 89.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.461 -0.774 . . . . 0.0 109.404 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.3 m -65.94 -34.55 78.37 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.474 -0.766 . . . . 0.0 109.45 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.415 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . 52.5 mt -68.01 -38.76 82.97 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.608 -0.683 . . . . 0.0 109.383 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.579 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.1 m -74.17 -27.26 60.74 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.216 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.8 p -101.02 0.66 38.48 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.354 -0.841 . . . . 0.0 110.777 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 109.709 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.458 ' HB2' HG23 ' A' ' 155' ' ' THR . 29.5 t . . . . . 0 C--O 1.213 -0.823 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -66.42 -37.77 85.95 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.305 -0.872 . . . . 0.0 109.413 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -74.18 -37.86 63.82 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.481 -0.762 . . . . 0.0 109.586 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.405 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 41.1 m -64.34 -43.07 95.76 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.443 -0.786 . . . . 0.0 109.113 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HG ' ' HD2' ' A' ' 151' ' ' PHE . 80.6 mt -72.29 -29.98 64.38 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.557 -0.715 . . . . 0.0 109.273 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.79 -39.16 93.58 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 84' ' ' PHE . 95.4 mt -61.98 -43.41 98.89 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.618 HD22 ' CZ ' ' A' ' 84' ' ' PHE . 64.2 mt -59.19 -38.21 79.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.945 -0.472 . . . . 0.0 110.039 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.39 93.18 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.44 -0.787 . . . . 0.0 109.615 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.44 -32.84 72.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.415 -0.803 . . . . 0.0 109.843 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.438 ' HG3' ' HB3' ' A' ' 80' ' ' LEU . 18.5 mtp -66.67 -30.18 70.37 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.457 -0.777 . . . . 0.0 110.28 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -48.93 116.59 1.71 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.541 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 2.0 pttp -101.57 -36.57 8.73 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.44 HG13 ' HG2' ' A' ' 141' ' ' GLU . 3.2 pt -114.53 170.49 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-O 121.538 0.685 . . . . 0.0 109.897 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -96.81 145.28 25.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.22 -33.23 73.14 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.514 -0.741 . . . . 0.0 109.014 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -66.98 -38.6 86.34 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.468 -0.77 . . . . 0.0 108.972 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.2 m -64.75 -29.93 70.92 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.032 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.6 m -113.78 55.87 0.71 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.63 -0.669 . . . . 0.0 109.823 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.54 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 46.6 mt -82.12 7.6 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.942 -1.099 . . . . 0.0 110.334 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -71.69 -35.44 70.25 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.208 -0.933 . . . . 0.0 108.742 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.547 ' HB2' HG22 ' A' ' 142' ' ' VAL . 44.2 m-20 -114.87 30.11 7.57 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -74.91 116.03 15.17 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.427 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.424 ' CE1' ' CZ ' ' A' ' 129' ' ' TYR . 28.8 p-80 -176.11 163.47 2.64 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.651 -0.655 . . . . 0.0 109.46 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -93.97 124.72 38.16 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 21.3 m-85 -60.79 -36.95 80.31 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.08 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.19 52.99 0.36 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.1 t80 -62.18 128.75 91.45 Favored Pre-proline 0 C--O 1.216 -0.668 0 O-C-N 121.689 -0.889 . . . . 0.0 108.946 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.9 Cg_endo -76.8 65.96 7.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 O-C-N 123.822 1.433 . . . . 0.0 110.695 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -72.82 -14.51 61.53 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -59.07 -27.93 65.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -99.16 29.25 3.99 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.532 -0.73 . . . . 0.0 109.067 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.512 ' CZ ' HG12 ' A' ' 55' ' ' VAL . 32.2 m-85 . . . . . 0 C--O 1.219 -0.548 0 O-C-N 121.364 -0.835 . . . . 0.0 108.896 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.482 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.5 t . . . . . 0 C--O 1.212 -0.893 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.613 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 31.9 mt -53.38 -45.65 98.37 Favored Pre-proline 0 C--O 1.215 -0.73 0 O-C-N 121.108 -0.995 . . . . 0.0 110.586 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.93 -32.24 54.95 Favored 'Trans proline' 0 C--N 1.356 0.973 0 O-C-N 123.316 1.167 . . . . 0.0 110.633 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.725 ' HA ' HG12 ' A' ' 116' ' ' ILE . 76.7 t -71.74 -46.03 63.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.586 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 47.3 mt -59.86 -32.15 70.43 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' HD21 ' A' ' 92' ' ' LEU . 60.3 t-80 -65.17 -53.16 49.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.685 -0.634 . . . . 0.0 109.738 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 116' ' ' ILE . 21.6 mt-10 -70.25 -23.58 62.93 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.067 -1.021 . . . . 0.0 110.29 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.572 ' HG3' HG12 ' A' ' 119' ' ' VAL . 3.2 ttt -70.88 -45.54 64.18 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.191 -0.943 . . . . 0.0 108.744 178.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.572 HG21 ' CD2' ' A' ' 88' ' ' LEU . 30.1 mt -71.41 -25.31 24.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 121.524 -0.735 . . . . 0.0 109.484 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -72.09 -35.92 69.35 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -70.18 -39.47 75.23 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 147' ' ' ILE . 83.2 mt -68.56 -31.55 51.56 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.448 ' HA ' HD11 ' A' ' 88' ' ' LEU . 25.9 t80 -62.04 -48.93 78.05 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.722 -0.611 . . . . 0.0 109.746 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -76.84 -33.68 57.9 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.2 tp -63.06 -31.91 73.16 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.314 -0.866 . . . . 0.0 109.235 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.45 ' CE1' HG21 ' A' ' 63' ' ' ILE . 10.5 m-85 -94.53 -24.19 17.37 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.685 -0.635 . . . . 0.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -80.8 -13.21 59.16 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.855 . . . . 0.0 110.473 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 p -58.4 150.1 23.18 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.179 -0.95 . . . . 0.0 110.065 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.98 -22.48 62.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.759 -0.588 . . . . 0.0 110.006 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -78.38 -43.5 27.39 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.355 -0.841 . . . . 0.0 109.591 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.403 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 18.6 t -75.58 -30.84 59.75 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.405 -0.81 . . . . 0.0 109.593 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.1 m -65.54 -35.51 81.08 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.523 -0.736 . . . . 0.0 109.48 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.12 -24.9 34.88 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.58 73.29 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.475 -0.766 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.541 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 68.7 m95 -113.49 171.41 7.58 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.535 -0.728 . . . . 0.0 109.997 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -69.32 136.06 51.28 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.03 -28.33 68.78 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.588 -0.695 . . . . 0.0 110.598 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -78.1 -43.87 27.78 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.908 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.438 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 83.0 mt -64.34 -37.28 86.96 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.0 mt -72.51 -31.66 65.52 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -57.58 -54.33 48.12 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.81 -33.06 73.44 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.618 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 18.3 t80 -65.42 -34.41 78.23 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.771 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -71.4 -32.83 68.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 120.983 -1.073 . . . . 0.0 108.99 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -71.25 -40.66 70.87 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.507 -0.745 . . . . 0.0 109.619 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -73.4 -28.22 61.89 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.3 -0.875 . . . . 0.0 109.553 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.572 ' CD2' HG21 ' A' ' 60' ' ' ILE . 76.4 mt -73.61 -41.14 63.21 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.355 -0.84 . . . . 0.0 109.284 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -77.08 -29.97 55.25 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -73.76 -47.49 38.62 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.303 -0.873 . . . . 0.0 108.893 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.08 -29.66 70.79 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' A' ' 57' ' ' HIS . 12.3 mt -67.99 -49.06 63.84 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.504 -0.747 . . . . 0.0 109.084 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -56.3 -38.51 71.35 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.703 -0.623 . . . . 0.0 109.693 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -67.74 -46.79 71.12 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 C--O 1.216 -0.685 0 O-C-N 121.887 -0.508 . . . . 0.0 110.323 179.612 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 C--O 1.213 -0.826 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 p -63.0 -44.9 94.74 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.13 -0.981 . . . . 0.0 109.061 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.725 HG12 ' HA ' ' A' ' 55' ' ' VAL . 68.5 mt -71.08 -30.83 42.71 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 109.144 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tt -67.72 -29.78 69.11 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.45 -45.51 68.89 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.572 HG12 ' HG3' ' A' ' 59' ' ' MET . 49.2 t -67.56 -23.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -70.9 -50.24 37.15 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -66.31 -24.78 66.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.508 -0.745 . . . . 0.0 109.139 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 126' ' ' ILE . 31.2 t80 -69.66 -50.05 47.79 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -69.56 -24.23 63.67 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.794 -0.566 . . . . 0.0 109.835 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -66.41 -41.08 89.81 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.41 -38.3 90.63 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.53 HG22 HG23 ' A' ' 143' ' ' VAL . 62.3 mt -63.35 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.44 HG23 ' HE2' ' A' ' 131' ' ' LYS . 12.9 m -65.93 -37.07 85.09 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.589 -0.695 . . . . 0.0 109.396 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 tp -65.76 -43.11 89.86 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 121.554 -0.716 . . . . 0.0 109.208 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.424 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -62.5 -32.83 73.8 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.667 -0.646 . . . . 0.0 109.808 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.415 ' HB3' ' CE1' ' A' ' 135' ' ' TYR . 44.1 mt -73.81 -34.11 64.46 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.522 -0.736 . . . . 0.0 109.639 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.44 ' HE2' HG23 ' A' ' 127' ' ' THR . 54.7 mtmt -81.64 -19.93 40.73 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.99 -1.068 . . . . 0.0 109.482 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -79.98 -47.87 14.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.367 -0.833 . . . . 0.0 109.144 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 5.5 mptp? -82.18 2.8 29.9 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.632 -0.667 . . . . 0.0 109.516 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 59.67 40.38 20.0 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.295 -0.878 . . . . 0.0 109.686 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 88.3 m-85 58.66 51.46 7.77 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.379 0.609 . . . . 0.0 110.06 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.486 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 11.4 m -80.69 163.06 58.1 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.469 -0.769 . . . . 0.0 109.516 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.4 Cg_endo -68.87 -36.16 14.05 Favored 'Trans proline' 0 C--N 1.349 0.597 0 O-C-N 123.765 1.403 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 16.6 m -68.55 -42.58 78.19 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.476 -0.765 . . . . 0.0 109.145 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.64 94.87 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.56 -0.713 . . . . 0.0 109.204 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 21.7 m95 -69.21 -38.24 78.46 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.517 -0.739 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.44 ' HG2' HG13 ' A' ' 24' ' ' ILE . 13.3 tp10 -65.69 -39.44 91.28 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.547 HG22 ' HB2' ' A' ' 32' ' ' ASP . 44.5 t -64.08 -38.91 83.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.69 ' HA ' ' HG2' ' A' ' 146' ' ' GLU . 87.7 t -74.05 -21.33 17.86 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.674 ' HA ' ' CZ ' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -67.38 -52.3 41.69 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.62 65.93 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.69 ' HG2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -75.74 -35.49 60.2 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.559 -0.713 . . . . 0.0 109.73 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.625 ' N ' ' HG3' ' A' ' 146' ' ' GLU . 22.0 mm -81.22 -31.44 11.74 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 121.371 -0.831 . . . . 0.0 109.276 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.405 ' CG ' ' HB3' ' A' ' 18' ' ' LEU . 47.1 mtp -70.17 -43.08 71.53 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -39.56 58.58 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.491 -0.756 . . . . 0.0 109.991 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 72.6 m -68.75 -38.81 80.39 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.447 -0.783 . . . . 0.0 109.978 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.442 ' HD2' ' HG ' ' A' ' 15' ' ' LEU . 28.6 t80 -69.21 -35.24 76.01 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 109.124 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.0 t -69.09 -38.86 79.21 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 47.4 mt -64.25 -39.27 93.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 3.7 m -70.63 -31.49 68.47 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.774 -0.579 . . . . 0.0 110.112 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 11' ' ' SER . 82.1 p -93.62 -0.37 56.18 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.317 -0.864 . . . . 0.0 110.062 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 . . . . . 0 CA--C 1.542 0.639 0 O-C-N 121.101 -1.0 . . . . 0.0 110.104 179.711 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 C--O 1.213 -0.843 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -65.22 -33.4 75.9 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.424 -0.798 . . . . 0.0 109.809 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -72.24 -40.92 67.37 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.28 -0.887 . . . . 0.0 109.055 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -61.15 -42.42 98.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.548 HD21 ' HG3' ' A' ' 148' ' ' MET . 92.2 mt -70.58 -30.9 67.71 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ttp -63.39 -34.81 78.55 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 84' ' ' PHE . 78.5 mt -64.51 -42.6 95.7 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 65.0 mt -59.58 -30.35 68.59 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 109.554 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.63 -34.58 65.06 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.296 -0.877 . . . . 0.0 109.44 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.05 -46.33 71.42 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.413 -0.805 . . . . 0.0 109.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.498 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.4 ptp -62.0 -26.03 67.99 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.467 -0.77 . . . . 0.0 110.317 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -49.76 110.83 0.42 Allowed 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.448 -0.782 . . . . 0.0 109.514 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 4.7 mtpp -94.02 -38.67 11.03 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.578 HG13 ' CG ' ' A' ' 141' ' ' GLU . 4.6 pt -111.94 167.13 5.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 121.526 0.679 . . . . 0.0 109.791 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.6 m -91.17 143.21 26.91 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' O ' HD11 ' A' ' 30' ' ' LEU . 63.9 tp -59.24 -37.62 78.01 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.748 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 94.2 m-85 -60.19 -41.73 93.56 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 t -58.76 -31.01 67.97 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.449 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 67.3 m -104.3 51.73 0.77 Allowed 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.701 -0.624 . . . . 0.0 109.788 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.748 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -86.81 12.24 11.39 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.328 -0.858 . . . . 0.0 110.063 179.288 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -103.66 -22.54 13.56 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.2 -0.937 . . . . 0.0 109.608 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -112.17 24.49 12.54 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HA ' HG23 ' A' ' 142' ' ' VAL . 55.8 mtp180 -78.01 101.92 7.15 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.945 -1.097 . . . . 0.0 110.076 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -130.22 117.51 19.98 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -72.51 138.87 47.25 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.502 -0.749 . . . . 0.0 109.461 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 44.9 m-85 -89.98 -44.79 9.63 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.31 72.71 0.5 Allowed Glycine 0 CA--C 1.532 1.143 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.1 t80 -69.98 131.93 88.81 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.513 -0.992 . . . . 0.0 109.042 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.8 Cg_endo -84.62 75.61 3.68 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 O-C-N 123.749 1.394 . . . . 0.0 111.195 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 41.4 tt0 -77.65 -15.87 58.91 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.215 -0.928 . . . . 0.0 109.358 178.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -57.63 -32.17 66.98 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.183 -0.948 . . . . 0.0 109.279 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.515 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.8 tp10 -97.34 40.1 1.17 Allowed 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.3 m-85 . . . . . 0 C--O 1.212 -0.903 0 O-C-N 121.311 -0.868 . . . . 0.0 109.06 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 1.6 p . . . . . 0 C--O 1.208 -1.129 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.559 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 58.7 mt -44.86 -49.22 28.74 Favored Pre-proline 0 C--O 1.215 -0.751 0 O-C-N 121.346 -0.847 . . . . 0.0 111.4 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.0 Cg_endo -64.08 -36.99 45.05 Favored 'Trans proline' 0 C--N 1.355 0.872 0 O-C-N 123.104 1.054 . . . . 0.0 110.608 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.665 ' HA ' HG12 ' A' ' 116' ' ' ILE . 38.9 t -70.11 -37.66 72.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.606 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 29.4 mt -67.9 -29.99 69.22 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -68.01 -50.58 54.69 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.534 -0.729 . . . . 0.0 109.464 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.607 ' HG2' HG22 ' A' ' 116' ' ' ILE . 16.3 tp10 -71.62 -29.12 64.3 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.155 -0.966 . . . . 0.0 109.778 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.462 ' HG3' HG12 ' A' ' 119' ' ' VAL . 3.9 ttt -66.18 -47.73 73.0 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.2 -0.937 . . . . 0.0 109.064 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.616 HG21 ' CD2' ' A' ' 88' ' ' LEU . 13.6 mt -67.87 -24.97 31.32 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 121.504 -0.747 . . . . 0.0 109.423 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -35.74 64.67 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -68.7 -39.27 80.59 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 121.54 -0.725 . . . . 0.0 109.217 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.505 HG22 ' CE1' ' A' ' 67' ' ' PHE . 77.5 mt -71.07 -33.78 52.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.445 ' HA ' HD11 ' A' ' 88' ' ' LEU . 54.5 t80 -59.6 -42.71 93.2 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.587 -0.696 . . . . 0.0 109.704 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -79.59 -42.41 25.05 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.616 -0.677 . . . . 0.0 109.908 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.5 tp -55.61 -32.45 63.13 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.468 -0.77 . . . . 0.0 109.518 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.505 ' CE1' HG22 ' A' ' 63' ' ' ILE . 16.2 m-85 -94.44 -27.95 15.75 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.493 -0.755 . . . . 0.0 109.891 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.7 t -74.27 -19.47 60.48 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.284 -0.885 . . . . 0.0 110.246 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.3 p -54.57 148.57 12.11 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.728 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -61.99 -22.09 65.39 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.568 -0.707 . . . . 0.0 110.08 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -75.76 -42.66 49.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.414 -0.804 . . . . 0.0 109.388 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.485 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.4 t -78.65 -30.7 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.495 -0.753 . . . . 0.0 109.835 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 74.2 m -64.44 -34.98 79.45 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.44 -0.788 . . . . 0.0 109.123 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.8 -25.52 30.35 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -68.24 -31.86 71.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.157 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.437 ' HB2' HD13 ' A' ' 81' ' ' LEU . 74.1 m95 -120.19 177.47 5.0 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.444 -0.785 . . . . 0.0 109.747 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.41 135.26 42.38 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.286 -0.884 . . . . 0.0 108.632 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -66.07 -27.79 68.34 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.412 -0.805 . . . . 0.0 110.566 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.8 m -78.38 -44.44 24.99 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.066 -1.021 . . . . 0.0 108.864 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.57 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 76' ' ' TRP . 11.4 mt -71.25 -32.87 69.26 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -55.69 -52.38 64.07 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.87 -33.21 75.19 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.575 ' HA ' HD12 ' A' ' 17' ' ' LEU . 19.3 t80 -64.64 -33.18 75.32 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.692 -0.63 . . . . 0.0 109.482 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -72.16 -37.91 69.27 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.326 -0.859 . . . . 0.0 109.367 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -68.33 -39.95 81.75 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.614 -0.679 . . . . 0.0 109.669 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.549 ' HG3' HD13 ' A' ' 17' ' ' LEU . 56.3 mm-40 -72.41 -31.81 65.82 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.283 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.616 ' CD2' HG21 ' A' ' 60' ' ' ILE . 55.0 mt -67.4 -43.08 82.16 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.497 -0.752 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.551 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -77.88 -24.76 48.35 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.361 -0.837 . . . . 0.0 110.127 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -68.37 -49.99 56.25 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -66.39 -27.94 68.24 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 19.9 mt -69.37 -36.38 76.77 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.457 -0.777 . . . . 0.0 109.453 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -69.27 -43.18 74.45 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.336 -0.852 . . . . 0.0 109.23 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -64.52 -43.72 93.16 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.565 -0.709 . . . . 0.0 109.22 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--O 1.217 -0.628 0 O-C-N 121.848 -0.532 . . . . 0.0 109.821 179.722 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.409 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 28.4 t0 . . . . . 0 C--O 1.213 -0.816 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.515 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 46.4 t -61.47 -48.75 79.68 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.003 -1.061 . . . . 0.0 108.327 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.665 HG12 ' HA ' ' A' ' 55' ' ' VAL . 69.7 mt -64.79 -34.07 67.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 114' ' ' ASP . 63.0 mt -66.73 -30.72 71.02 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.597 -0.69 . . . . 0.0 109.462 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.46 78.46 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.462 HG12 ' HG3' ' A' ' 59' ' ' MET . 95.2 t -66.36 -28.62 44.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -68.02 -44.21 77.04 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -67.45 -35.66 79.65 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 84.0 t80 -62.36 -50.66 70.7 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.702 -0.624 . . . . 0.0 109.418 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -68.74 -27.75 66.19 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.689 -0.632 . . . . 0.0 110.243 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -64.0 -40.55 96.61 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 tpp85 -68.18 -36.15 79.16 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 122' ' ' TYR . 62.1 mt -63.25 -38.63 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -64.14 -43.55 94.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.547 -0.721 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.1 tp -63.06 -40.06 96.58 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.509 -0.745 . . . . 0.0 109.011 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -57.96 -43.99 86.75 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.331 0.586 . . . . 0.0 109.525 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 52.7 mt -64.92 -40.38 94.98 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -72.65 -21.98 61.01 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.184 -0.948 . . . . 0.0 109.92 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -48.54 21.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.256 -0.902 . . . . 0.0 109.32 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -82.65 3.07 30.44 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 109.706 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 59.79 39.24 20.97 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.359 -0.838 . . . . 0.0 109.655 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.3 m-85 60.24 52.53 4.89 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.706 -0.621 . . . . 0.0 109.747 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.472 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 18.0 m -77.06 162.7 68.88 Favored Pre-proline 0 C--O 1.218 -0.594 0 O-C-N 121.494 -0.754 . . . . 0.0 109.179 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.9 Cg_endo -69.27 -42.15 4.19 Favored 'Trans proline' 0 C--N 1.348 0.545 0 O-C-N 123.727 1.383 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.9 -35.7 77.16 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.448 -0.783 . . . . 0.0 109.043 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.32 93.47 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.553 -0.717 . . . . 0.0 109.214 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.485 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 28.9 m95 -72.09 -33.71 68.08 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.496 -0.752 . . . . 0.0 110.091 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.578 ' CG ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -66.3 -40.57 90.08 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.186 -0.946 . . . . 0.0 108.604 178.732 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.539 HG23 ' HA ' ' A' ' 33' ' ' ARG . 55.0 t -63.31 -43.81 98.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.7 -24.96 29.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.443 ' C ' ' HD2' ' A' ' 144' ' ' ARG . 6.1 tmm_? -67.89 -48.6 65.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.279 -0.888 . . . . 0.0 108.704 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.57 75.65 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.468 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 30.2 mm-40 -67.19 -37.35 83.52 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.608 -0.682 . . . . 0.0 109.721 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.8 mm -74.8 -36.18 38.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 109.192 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.548 ' HG3' HD21 ' A' ' 15' ' ' LEU . 30.9 ttm -62.8 -45.83 90.81 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.401 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -67.76 -52.48 36.81 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 121.851 -0.53 . . . . 0.0 110.009 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.445 ' HA ' HD11 ' A' ' 153' ' ' LEU . 66.8 m -55.7 -45.29 77.87 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.955 -0.466 . . . . 0.0 110.57 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.434 ' HD2' ' HG ' ' A' ' 15' ' ' LEU . 29.1 t80 -65.53 -34.6 78.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.527 -0.733 . . . . 0.0 109.906 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.3 t -74.1 -31.69 62.9 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.367 -0.833 . . . . 0.0 109.353 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 150' ' ' SER . 46.3 mt -69.87 -37.23 76.02 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.522 -0.736 . . . . 0.0 109.083 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.606 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 48.2 m -73.64 -36.82 65.45 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 109.813 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 81.5 p -88.35 -3.22 58.88 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.439 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 . . . . . 0 C--O 1.215 -0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.329 179.381 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HE2' ' A' ' 151' ' ' PHE . 80.0 p . . . . . 0 C--O 1.215 -0.739 0 CA-C-O 120.721 0.296 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -63.07 -40.18 96.9 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -74.4 -43.08 57.93 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.463 -0.773 . . . . 0.0 109.951 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.1 m -58.96 -44.94 91.59 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.432 -0.792 . . . . 0.0 109.651 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.501 HD21 ' HG3' ' A' ' 148' ' ' MET . 81.1 mt -68.25 -33.3 74.13 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.623 -0.673 . . . . 0.0 109.412 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -62.57 -39.46 93.76 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 84' ' ' PHE . 60.9 mt -60.84 -44.76 96.52 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.95 -38.87 80.02 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.737 -0.602 . . . . 0.0 109.824 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.62 93.77 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.51 -0.744 . . . . 0.0 109.826 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.04 -32.7 74.13 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.467 -0.771 . . . . 0.0 110.228 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.414 ' SD ' HD22 ' A' ' 81' ' ' LEU . 17.7 mtm -68.09 -29.09 67.94 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.298 -0.876 . . . . 0.0 110.592 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -49.82 111.22 0.48 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.463 -0.773 . . . . 0.0 109.663 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 1.0 OUTLIER -94.35 -38.82 10.79 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.406 0.622 . . . . 0.0 109.444 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.488 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -114.25 170.44 4.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-O 121.575 0.703 . . . . 0.0 110.595 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.5 m -91.51 143.54 26.49 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.494 ' O ' HD11 ' A' ' 30' ' ' LEU . 44.0 tp -60.72 -35.92 77.54 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.602 -0.686 . . . . 0.0 109.498 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.721 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 77.8 m-85 -65.76 -38.95 90.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -61.73 -26.87 68.33 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 37.4 m -105.86 51.91 0.74 Allowed 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.566 -0.709 . . . . 0.0 109.767 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.721 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.83 9.0 8.8 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.188 -0.945 . . . . 0.0 109.957 178.464 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -87.65 -28.98 21.52 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.159 -0.963 . . . . 0.0 109.537 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -114.55 21.92 14.09 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.608 -0.682 . . . . 0.0 109.864 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.2 tpt85 -66.4 108.56 2.41 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.994 -1.066 . . . . 0.0 109.55 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -150.34 140.07 21.72 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.195 0.522 . . . . 0.0 109.762 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -98.76 138.71 35.53 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -85.71 -42.16 14.5 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 109.705 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.33 43.95 1.42 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 58.2 t80 -43.02 134.64 3.01 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 121.693 -0.886 . . . . 0.0 110.456 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.593 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 56.6 Cg_endo -80.93 81.41 2.74 Favored 'Trans proline' 0 C--N 1.356 0.951 0 O-C-N 123.679 1.357 . . . . 0.0 110.871 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.558 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.0 OUTLIER -82.45 -19.99 37.84 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.21 -0.931 . . . . 0.0 109.775 179.193 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.0 -31.47 41.15 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.387 -0.821 . . . . 0.0 109.516 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 0.9 OUTLIER -101.38 46.72 0.93 Allowed 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.628 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 10.8 m-85 . . . . . 0 C--O 1.215 -0.762 0 O-C-N 121.339 -0.851 . . . . 0.0 109.199 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.517 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 13.0 t . . . . . 0 C--O 1.212 -0.915 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.61 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 mt -51.38 -44.62 89.17 Favored Pre-proline 0 C--O 1.213 -0.848 0 O-C-N 121.129 -0.982 . . . . 0.0 110.617 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.5 -31.45 51.06 Favored 'Trans proline' 0 C--N 1.357 0.987 0 O-C-N 123.23 1.121 . . . . 0.0 110.669 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.66 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.8 t -73.75 -42.01 54.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 121.374 -0.829 . . . . 0.0 108.769 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.599 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.8 mt -64.77 -34.57 78.65 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.0 -51.41 64.37 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.639 -0.663 . . . . 0.0 109.489 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.53 ' HB2' HD12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -68.41 -26.85 65.75 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.235 -0.916 . . . . 0.0 109.339 179.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -67.32 -38.84 85.59 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.6 HG21 ' CD2' ' A' ' 88' ' ' LEU . 7.1 mm -65.38 -33.55 64.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.438 ' HG2' HD23 ' A' ' 92' ' ' LEU . 3.4 mm100 -70.2 -39.09 75.38 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.6 -0.688 . . . . 0.0 109.652 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.46 -43.02 82.09 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.53 HG22 ' CE1' ' A' ' 67' ' ' PHE . 76.2 mt -71.95 -27.45 27.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.488 ' HA ' HD11 ' A' ' 88' ' ' LEU . 20.9 t80 -64.74 -44.95 88.49 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.353 -0.842 . . . . 0.0 109.392 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -77.73 -38.73 46.45 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.833 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.71 -32.07 68.84 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.695 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.53 ' CE1' HG22 ' A' ' 63' ' ' ILE . 9.2 m-85 -97.22 -25.13 15.39 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.507 -0.745 . . . . 0.0 110.043 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.2 t -73.6 -20.48 60.59 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.317 -0.865 . . . . 0.0 110.172 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.9 p -54.87 145.94 18.68 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.286 -0.883 . . . . 0.0 109.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.8 -26.43 65.74 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.651 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.4 m-20 -70.3 -43.88 69.47 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.459 -0.776 . . . . 0.0 109.416 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.495 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.2 t -75.54 -31.86 60.24 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.472 -0.768 . . . . 0.0 109.796 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.546 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.9 m -63.54 -36.59 84.3 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.565 -0.709 . . . . 0.0 109.399 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.25 -25.43 34.1 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.74 -30.74 68.41 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.517 -0.739 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.496 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 71.4 m95 -121.65 171.03 9.14 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.427 -0.795 . . . . 0.0 110.036 -178.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 131.21 46.0 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.41 -25.65 68.11 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 121.46 -0.775 . . . . 0.0 110.367 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.6 m -79.67 -44.28 21.19 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.137 -0.977 . . . . 0.0 108.74 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.98 -38.85 92.79 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.546 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -71.29 -33.33 69.62 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -55.65 -52.95 62.09 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -63.71 -31.81 73.1 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.456 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 17.2 t80 -68.54 -28.77 67.27 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 121.735 -0.603 . . . . 0.0 109.807 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -77.32 -52.93 8.34 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.025 -1.047 . . . . 0.0 109.236 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.5 m -63.41 -29.42 70.71 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.729 -0.607 . . . . 0.0 109.736 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 90' ' ' GLN . 2.5 tt0 -76.98 -32.91 57.59 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.43 -0.794 . . . . 0.0 109.501 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.6 ' CD2' HG21 ' A' ' 60' ' ' ILE . 53.5 mt -70.88 -38.42 73.07 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.47 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 14.0 t80 -77.28 -37.74 52.23 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 110.261 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 87' ' ' GLU . 3.3 pt20 -67.63 -38.19 83.54 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 120.984 -1.073 . . . . 0.0 108.59 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -70.27 -30.25 67.23 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.573 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 9.6 mt -67.81 -33.38 74.68 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.31 -40.99 70.45 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.427 -0.796 . . . . 0.0 109.311 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 -40.82 81.69 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.358 -0.838 . . . . 0.0 109.388 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--O 1.216 -0.66 0 O-C-N 121.642 -0.661 . . . . 0.0 109.304 178.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.64 0.257 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.557 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 23.4 t -72.66 -46.8 52.08 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.155 -0.965 . . . . 0.0 109.705 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.66 HG12 ' HA ' ' A' ' 55' ' ' VAL . 73.6 mt -67.93 -35.18 71.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 O-C-N 121.433 -0.792 . . . . 0.0 109.053 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.31 -37.51 83.48 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.95 75.82 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 23.0 t -66.01 -23.14 31.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -73.55 -45.2 54.95 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.256 -0.902 . . . . 0.0 110.01 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -74.34 -29.47 61.61 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.445 -0.784 . . . . 0.0 109.427 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 126' ' ' ILE . 4.3 m-85 -76.43 -35.57 58.45 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.469 -0.77 . . . . 0.0 109.619 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -73.65 -31.07 63.31 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.92 -43.08 99.59 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -61.22 -42.15 98.1 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 122' ' ' TYR . 64.5 mt -59.97 -36.89 69.82 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 O-C-N 121.64 -0.663 . . . . 0.0 109.395 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.2 m -65.04 -43.63 91.7 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.513 -0.742 . . . . 0.0 109.459 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.08 -30.98 70.3 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.451 -0.781 . . . . 0.0 109.378 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -62.24 -40.5 96.39 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 75.8 mt -65.71 -46.39 79.15 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.39 -25.04 67.85 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.035 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.75 -50.35 36.96 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.349 -0.845 . . . . 0.0 109.357 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.486 ' HG2' ' HB3' ' A' ' 139' ' ' ALA . 14.2 mptt -82.8 5.09 22.72 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.684 -0.635 . . . . 0.0 109.81 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 61.75 42.09 11.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.504 -0.747 . . . . 0.0 109.793 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 87.5 m-85 57.87 51.31 9.25 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.612 0.72 . . . . 0.0 109.563 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.1 t -76.52 148.96 80.78 Favored Pre-proline 0 C--O 1.215 -0.722 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.96 -30.39 57.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 O-C-N 123.725 1.381 . . . . 0.0 110.748 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -43.71 54.24 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.447 -0.783 . . . . 0.0 108.982 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.486 ' HB3' ' HG2' ' A' ' 133' ' ' LYS . . . -64.89 -33.58 76.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.623 -0.673 . . . . 0.0 109.266 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.495 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 11.1 m95 -66.61 -36.34 82.37 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.514 -0.741 . . . . 0.0 109.671 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.5 -31.88 69.16 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.309 -0.869 . . . . 0.0 109.154 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.09 -41.56 92.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 147' ' ' ILE . 67.6 t -74.07 -24.61 19.42 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.496 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 26.6 ttp85 -68.46 -47.68 66.5 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.195 -0.94 . . . . 0.0 108.719 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.05 -32.17 72.34 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.84 -30.95 62.96 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.617 -0.677 . . . . 0.0 109.975 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.6 mm -78.58 -34.53 17.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.136 -0.977 . . . . 0.0 109.253 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.501 ' HG3' HD21 ' A' ' 15' ' ' LEU . 29.4 ttm -74.7 -37.65 62.57 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.476 ' CZ ' HD13 ' A' ' 153' ' ' LEU . 1.6 tmm_? -73.09 -43.09 62.28 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.539 -0.726 . . . . 0.0 109.275 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.542 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 75.0 m -65.58 -40.54 92.86 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.414 ' HE2' ' HA ' ' A' ' 11' ' ' SER . 44.6 t80 -66.7 -40.12 88.36 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -65.21 -37.55 87.64 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.558 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 71.0 mt -64.42 -40.38 95.65 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.602 -0.686 . . . . 0.0 109.312 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.599 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.9 m -72.5 -25.84 61.56 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.655 -0.653 . . . . 0.0 110.126 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 44.1 p -101.82 2.13 37.93 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.215 -0.713 0 O-C-N 121.217 -0.927 . . . . 0.0 110.742 179.581 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.7 p . . . . . 0 C--O 1.215 -0.731 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -64.35 -37.76 88.66 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.381 -0.825 . . . . 0.0 109.639 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -75.99 -40.11 54.41 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.36 -0.838 . . . . 0.0 109.941 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.7 m -62.75 -42.22 99.57 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.324 -0.86 . . . . 0.0 109.51 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.496 ' HG ' ' HD2' ' A' ' 151' ' ' PHE . 46.9 mt -69.68 -32.82 71.66 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.566 -0.708 . . . . 0.0 109.156 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.7 ttp -64.35 -37.03 86.05 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 84' ' ' PHE . 94.3 mt -64.31 -39.52 94.09 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.653 ' HG ' ' CE2' ' A' ' 84' ' ' PHE . 12.3 mt -59.26 -36.63 75.85 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.78 73.58 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.48 -0.762 . . . . 0.0 109.92 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -66.0 -43.42 87.78 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.019 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.532 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 28.2 mtm -64.53 -27.42 68.96 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.413 -0.804 . . . . 0.0 110.111 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.07 98.79 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.382 0.61 . . . . 0.0 109.852 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.35 -43.54 14.64 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.479 HG13 ' HG3' ' A' ' 141' ' ' GLU . 3.7 pt -108.83 168.37 3.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-O 121.372 0.606 . . . . 0.0 109.552 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.8 m -100.59 157.45 16.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.548 -0.72 . . . . 0.0 109.705 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HG3' ' A' ' 33' ' ' ARG . 61.5 tp -65.12 -29.67 70.54 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.44 ' HA ' ' CG ' ' A' ' 30' ' ' LEU . 90.8 m-85 -67.37 -37.54 83.34 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -67.63 -30.07 69.55 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.389 -0.819 . . . . 0.0 108.975 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.445 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 60.3 m -112.36 54.26 0.71 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.541 -0.724 . . . . 0.0 109.985 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.44 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 75.6 mt -86.79 1.21 53.05 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.952 -1.093 . . . . 0.0 110.49 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -84.22 -29.76 26.29 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.19 -0.944 . . . . 0.0 109.527 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' HA ' ' A' ' 139' ' ' ALA . 2.1 p-10 -107.58 16.19 24.0 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.47 -0.769 . . . . 0.0 110.777 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HG3' HD12 ' A' ' 26' ' ' LEU . 23.3 ttm180 -71.99 119.06 15.64 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 120.604 -1.31 . . . . 0.0 109.676 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -137.8 129.35 28.15 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.3 113.68 6.86 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.51 -0.744 . . . . 0.0 109.243 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.691 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 76.3 m-85 -71.82 -42.16 67.34 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.541 -0.725 . . . . 0.0 109.254 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.45 61.85 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 69.3 t80 -70.06 128.48 91.58 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.467 -1.019 . . . . 0.0 108.543 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.4 Cg_endo -77.83 64.62 8.22 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 O-C-N 123.718 1.378 . . . . 0.0 111.13 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -72.35 -21.0 61.37 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.304 178.282 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.45 -33.51 65.96 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.379 -0.825 . . . . 0.0 108.929 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -97.66 29.9 3.16 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.406 -0.809 . . . . 0.0 109.21 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 5.0 m-85 . . . . . 0 C--O 1.218 -0.587 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 5.6 t . . . . . 0 C--O 1.213 -0.851 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.651 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 47.5 mt -58.3 -41.98 92.38 Favored Pre-proline 0 C--O 1.213 -0.861 0 O-C-N 120.94 -1.1 . . . . 0.0 109.96 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -66.09 -29.17 48.43 Favored 'Trans proline' 0 C--N 1.358 1.03 0 O-C-N 123.131 1.069 . . . . 0.0 110.221 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.618 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.46 -41.65 49.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.571 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 43.4 mt -65.39 -37.19 86.24 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -61.89 -47.95 82.66 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.675 -0.641 . . . . 0.0 109.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -69.63 -28.51 65.97 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.532 -0.73 . . . . 0.0 109.539 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 ttt -68.19 -36.79 80.13 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.372 -0.83 . . . . 0.0 109.068 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.6 ' CG2' ' HG ' ' A' ' 92' ' ' LEU . 9.0 mm -67.7 -37.61 78.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -71.35 -34.59 70.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.53 -0.731 . . . . 0.0 109.74 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -69.8 -43.89 71.19 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.33 -0.856 . . . . 0.0 109.223 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.484 HG21 ' CD1' ' A' ' 67' ' ' PHE . 91.7 mt -69.27 -29.8 43.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.66 ' HA ' HD11 ' A' ' 88' ' ' LEU . 55.8 t80 -61.99 -43.93 97.8 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.389 -0.819 . . . . 0.0 109.821 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -78.17 -39.55 40.54 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.53 -0.732 . . . . 0.0 109.865 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.0 -30.36 69.09 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.371 -0.831 . . . . 0.0 109.606 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.484 ' CD1' HG21 ' A' ' 63' ' ' ILE . 7.3 m-85 -98.11 -15.76 19.83 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.572 -0.705 . . . . 0.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.9 t -85.03 -17.26 38.06 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.154 -0.966 . . . . 0.0 109.651 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 p -54.83 147.82 14.32 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.432 -0.792 . . . . 0.0 110.214 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.01 -24.57 67.98 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.59 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.62 -38.27 55.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.528 -0.732 . . . . 0.0 109.511 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.502 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 87.7 p -78.05 -32.23 50.75 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.489 -0.757 . . . . 0.0 109.79 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.544 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 69.4 m -66.75 -35.53 80.31 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.678 -0.638 . . . . 0.0 109.494 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.86 36.81 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.6 -0.687 . . . . 0.0 109.152 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.69 67.87 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.524 -0.735 . . . . 0.0 110.33 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.503 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 77.7 m95 -111.05 174.08 6.03 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.633 -0.667 . . . . 0.0 110.055 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.26 131.05 44.67 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -63.95 -28.28 69.71 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.381 -0.824 . . . . 0.0 110.39 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.8 m -76.65 -45.39 30.08 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.269 -0.894 . . . . 0.0 108.92 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.532 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 91.6 mt -63.21 -38.5 91.4 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.544 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 9.7 mt -69.47 -32.96 72.19 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.97 -49.49 75.56 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -65.5 -30.06 70.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.383 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.653 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -64.83 -41.75 95.49 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.391 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.24 -37.61 85.92 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 109.409 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -38.63 81.48 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.627 -0.67 . . . . 0.0 109.835 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -74.29 -27.42 60.72 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.66 HD11 ' HA ' ' A' ' 64' ' ' PHE . 71.5 mt -74.17 -40.32 62.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.405 -0.81 . . . . 0.0 109.341 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -36.49 61.76 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.383 -0.823 . . . . 0.0 110.237 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -73.3 -42.65 62.15 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.216 -0.927 . . . . 0.0 109.374 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -66.63 -27.73 67.92 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.414 -0.804 . . . . 0.0 108.924 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.6 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 7.5 mt -66.41 -48.15 70.97 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.75 -40.31 87.7 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.808 -0.557 . . . . 0.0 109.818 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.21 -45.74 86.95 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.263 -0.898 . . . . 0.0 108.673 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.438 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--O 1.216 -0.681 0 CA-C-O 120.87 0.367 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.41 ' HB2' HG23 ' A' ' 55' ' ' VAL . 2.4 p -65.5 -45.88 81.86 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.963 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.618 HG12 ' HA ' ' A' ' 55' ' ' VAL . 68.0 mt -68.11 -28.02 39.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 121.509 -0.744 . . . . 0.0 109.292 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.52 -35.8 77.98 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.41 ' C ' ' HG3' ' A' ' 39' ' ' PRO . . . -64.41 -47.18 80.14 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.17 -24.5 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -70.75 -43.75 68.19 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.33 -0.856 . . . . 0.0 109.72 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -73.14 -30.55 63.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.415 -0.803 . . . . 0.0 108.941 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.512 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 45.8 t80 -65.32 -49.17 70.45 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -69.95 -29.76 66.97 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.689 -0.632 . . . . 0.0 110.003 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -42.96 99.5 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 125' ' ' ARG . 22.0 tpp180 -66.12 -38.1 87.34 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.691 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 58.4 mt -60.21 -37.22 72.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 O-C-N 121.57 -0.706 . . . . 0.0 109.186 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -36.94 80.47 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.487 -0.758 . . . . 0.0 109.25 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.87 -47.25 78.57 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.406 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 24.4 t80 -59.56 -36.42 76.17 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.61 -0.681 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.16 -41.86 85.28 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.06 -19.25 60.67 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.327 -0.858 . . . . 0.0 109.713 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.5 -48.04 20.8 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.31 -0.869 . . . . 0.0 109.174 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -84.46 3.14 37.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.783 -0.573 . . . . 0.0 109.657 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 3.7 mptp? 60.21 39.56 19.08 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 63.13 52.77 2.43 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.873 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.496 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.1 m -77.5 163.53 63.48 Favored Pre-proline 0 C--O 1.217 -0.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.273 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.89 -43.47 3.45 Favored 'Trans proline' 0 C--O 1.216 -0.583 0 O-C-N 123.784 1.413 . . . . 0.0 111.026 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.65 -38.42 80.44 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.372 -0.83 . . . . 0.0 108.83 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.434 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . . . -59.8 -39.71 85.9 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.597 -0.689 . . . . 0.0 109.407 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.502 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.5 m95 -71.31 -31.89 67.96 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.513 -0.742 . . . . 0.0 109.976 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.479 ' HG3' HG13 ' A' ' 24' ' ' ILE . 14.4 tm-20 -66.18 -48.33 71.07 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.316 -0.865 . . . . 0.0 109.085 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.19 -40.8 87.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.066 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 147' ' ' ILE . 70.7 t -68.06 -31.38 51.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 121.625 -0.672 . . . . 0.0 109.478 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.503 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 23.7 ttp85 -67.38 -47.22 71.0 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.45 -0.782 . . . . 0.0 109.122 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.24 72.31 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -73.22 -31.5 64.19 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.777 -0.577 . . . . 0.0 109.844 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 143' ' ' VAL . 19.6 mm -79.01 -34.11 16.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.289 -0.882 . . . . 0.0 109.6 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.3 ttm -73.26 -37.01 66.47 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -72.49 -48.54 39.83 Favored 'General case' 0 C--O 1.209 -1.041 0 O-C-N 121.69 -0.631 . . . . 0.0 109.357 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.605 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 88.9 p -63.76 -38.32 90.67 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.795 -0.565 . . . . 0.0 109.75 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.496 ' HD2' ' HG ' ' A' ' 15' ' ' LEU . 21.9 t80 -72.06 -37.43 69.65 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.493 -0.754 . . . . 0.0 109.8 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 87.7 p -69.22 -35.63 76.39 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 108.742 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.39 -39.15 93.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 73.8 m -72.43 -30.1 64.31 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.69 -0.631 . . . . 0.0 110.198 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.4 p -98.09 0.9 46.99 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.376 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--O 1.212 -0.918 0 O-C-N 121.04 -1.037 . . . . 0.0 110.301 179.559 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 C--O 1.216 -0.684 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -71.77 -36.59 70.41 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.397 -0.814 . . . . 0.0 109.476 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.508 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 32.0 mmt180 -75.19 -36.61 61.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.561 -0.712 . . . . 0.0 109.727 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.427 HG22 ' CE1' ' A' ' 84' ' ' PHE . 94.3 m -69.14 -45.68 69.52 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.313 -0.867 . . . . 0.0 109.377 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 151' ' ' PHE . 88.4 mt -68.99 -37.97 79.05 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.709 -0.62 . . . . 0.0 110.41 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.508 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 18.1 ptm -66.39 -30.99 71.49 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.0 -1.063 . . . . 0.0 109.225 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.508 ' CD1' ' HA ' ' A' ' 84' ' ' PHE . 49.8 mt -66.35 -40.9 90.11 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.66 -35.89 77.33 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.709 -0.619 . . . . 0.0 109.464 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.24 75.81 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.563 -0.711 . . . . 0.0 109.645 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -65.83 -33.38 75.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.465 -0.772 . . . . 0.0 109.941 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.8 mtp -63.86 -35.59 81.14 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.515 -0.74 . . . . 0.0 109.532 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -48.89 113.16 0.73 Allowed 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.846 -0.534 . . . . 0.0 109.988 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -96.35 -36.18 10.95 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.615 -0.678 . . . . 0.0 109.36 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.455 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 3.3 pt -113.31 170.53 4.31 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 CA-C-O 121.522 0.677 . . . . 0.0 109.844 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.0 m -96.13 148.97 22.13 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.652 -0.655 . . . . 0.0 109.235 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -64.44 -31.51 72.75 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -68.4 -38.02 80.89 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -66.1 -28.15 68.59 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 20.3 m -108.71 50.21 0.79 Allowed 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.456 -0.777 . . . . 0.0 110.112 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -82.38 -0.99 48.48 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.203 -0.936 . . . . 0.0 109.825 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -79.27 -24.02 43.24 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.436 -0.79 . . . . 0.0 109.181 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -112.41 25.82 11.14 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.679 -0.638 . . . . 0.0 109.91 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.5 123.18 16.58 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.111 -0.993 . . . . 0.0 109.21 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -151.86 126.53 9.54 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.527 -0.733 . . . . 0.0 109.041 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -91.67 114.24 26.72 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.655 ' CE1' ' HA ' ' A' ' 126' ' ' ILE . 79.7 m-85 -69.41 -43.72 72.84 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.529 -0.732 . . . . 0.0 110.267 -178.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.53 66.45 0.67 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 150' ' ' SER . 82.4 t80 -65.42 128.51 93.86 Favored Pre-proline 0 C--O 1.217 -0.623 0 O-C-N 121.662 -0.905 . . . . 0.0 108.834 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 118' ' ' ALA . 53.0 Cg_endo -75.57 68.74 6.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.678 1.357 . . . . 0.0 110.827 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 40' ' ' GLN . 20.2 tt0 -71.42 -17.07 62.41 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.415 -0.803 . . . . 0.0 109.662 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.5 -29.44 64.31 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.34 -0.85 . . . . 0.0 109.0 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.0 tp10 -99.69 31.44 3.21 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.413 -0.805 . . . . 0.0 109.284 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 38.7 m-85 . . . . . 0 C--O 1.217 -0.643 0 O-C-N 121.338 -0.851 . . . . 0.0 109.083 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 36.3 p . . . . . 0 C--O 1.205 -1.289 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 36.2 mt -46.69 -50.86 40.81 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 120.946 -1.096 . . . . 0.0 111.014 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.97 -31.86 45.86 Favored 'Trans proline' 0 C--N 1.354 0.828 0 O-C-N 123.258 1.136 . . . . 0.0 110.252 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 43' ' ' PHE . 46.3 t -70.47 -47.22 66.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.574 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 35.0 mt -62.36 -31.44 72.09 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -66.01 -46.99 75.93 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.445 -0.784 . . . . 0.0 109.658 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.562 ' HB3' HG22 ' A' ' 116' ' ' ILE . 30.1 tp10 -72.34 -30.15 64.48 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.304 -0.873 . . . . 0.0 109.842 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.7 ttt -67.27 -48.05 68.87 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.279 -0.888 . . . . 0.0 108.982 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.661 HG23 ' HG ' ' A' ' 92' ' ' LEU . 16.8 mt -71.81 -21.31 20.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.669 -0.644 . . . . 0.0 109.42 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -74.84 -36.09 62.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.66 -33.94 64.7 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' CE1' ' A' ' 67' ' ' PHE . 82.5 mt -74.98 -29.09 21.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.543 ' HA ' HD11 ' A' ' 88' ' ' LEU . 23.1 t80 -64.94 -49.39 70.54 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 121.406 -0.809 . . . . 0.0 109.464 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -79.04 -32.21 44.88 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.534 -0.729 . . . . 0.0 109.745 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 130' ' ' LEU . 49.6 tp -61.89 -32.24 72.6 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.514 -0.742 . . . . 0.0 109.364 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 63' ' ' ILE . 16.8 m-85 -97.9 -25.1 15.12 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.611 -0.681 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.0 t -75.72 -20.09 58.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.295 -0.878 . . . . 0.0 109.835 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.3 p -54.05 148.56 10.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.402 -0.811 . . . . 0.0 109.799 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.73 -26.53 68.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.609 -0.682 . . . . 0.0 109.817 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.1 p30 -73.76 -26.32 60.59 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.589 -0.695 . . . . 0.0 110.013 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.432 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 23.0 t -94.12 -31.92 13.97 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.214 -0.929 . . . . 0.0 109.495 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 67.2 m -63.47 -34.51 77.93 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.247 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.9 -27.35 33.45 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.39 85.28 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.586 -0.696 . . . . 0.0 110.029 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 23' ' ' LYS . 70.0 m95 -111.98 172.59 6.81 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.725 -0.609 . . . . 0.0 109.932 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.62 132.22 47.11 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -65.1 -28.29 69.34 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.495 -0.753 . . . . 0.0 110.619 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.7 m -79.24 -43.73 23.18 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.079 -1.013 . . . . 0.0 108.996 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.6 -35.66 81.25 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.8 mt -72.87 -33.48 66.11 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -55.81 -52.38 64.2 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -63.98 -34.27 77.6 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.508 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 27.2 t80 -65.05 -31.19 72.29 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.751 -0.593 . . . . 0.0 109.773 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -73.19 -37.68 66.41 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.165 -0.959 . . . . 0.0 108.753 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.2 m -69.62 -35.69 75.48 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.509 -0.744 . . . . 0.0 109.768 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.49 ' HG3' HD13 ' A' ' 17' ' ' LEU . 53.1 mm-40 -73.63 -34.23 64.9 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 64' ' ' PHE . 77.1 mt -68.96 -44.2 73.43 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.644 -0.66 . . . . 0.0 109.654 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.526 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.3 t80 -74.94 -27.32 60.15 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.577 -0.702 . . . . 0.0 109.795 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -68.59 -50.48 51.3 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.14 -30.05 70.47 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.661 ' HG ' HG23 ' A' ' 60' ' ' ILE . 15.0 mt -68.33 -34.22 75.71 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.42 -0.8 . . . . 0.0 109.35 178.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -68.75 -42.16 77.91 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.454 -0.779 . . . . 0.0 109.076 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.56 -41.42 84.24 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.517 -0.739 . . . . 0.0 109.337 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--O 1.215 -0.732 0 O-C-N 121.724 -0.61 . . . . 0.0 109.705 179.536 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 35.7 t0 . . . . . 0 C--O 1.216 -0.672 0 CA-C-O 120.859 0.361 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.562 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 12.7 p -62.55 -43.64 98.32 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.384 -0.823 . . . . 0.0 109.926 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.577 HG12 ' HA ' ' A' ' 55' ' ' VAL . 64.6 mt -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.577 -0.702 . . . . 0.0 109.137 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.48 -34.92 79.4 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.526 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . . . -65.75 -48.7 70.98 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.8 t -65.31 -26.76 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 120' ' ' ARG . 7.3 tmm_? -68.08 -48.48 65.43 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.26 -0.9 . . . . 0.0 109.711 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' A' ' 118' ' ' ALA . 21.9 pttp -69.46 -25.46 64.1 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.247 -0.908 . . . . 0.0 109.345 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.449 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 76.2 t80 -67.87 -52.6 34.69 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.451 -0.781 . . . . 0.0 109.118 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.87 -27.13 66.41 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.639 -0.663 . . . . 0.0 109.783 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.33 -42.72 99.0 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -64.88 -36.77 85.42 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.655 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 61.8 mt -64.53 -37.93 81.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 121.476 -0.765 . . . . 0.0 109.419 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 21.7 m -66.94 -40.86 87.69 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.497 -0.752 . . . . 0.0 109.903 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.39 -35.47 71.05 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.423 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 46.1 t80 -64.41 -39.68 94.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.324 -0.86 . . . . 0.0 108.938 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.44 ' CD1' HD13 ' A' ' 66' ' ' LEU . 41.9 mt -65.21 -44.57 87.9 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.3 -23.68 63.84 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.257 -0.902 . . . . 0.0 109.816 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.37 -48.38 50.46 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.323 -0.861 . . . . 0.0 109.141 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.429 ' HG2' ' HB1' ' A' ' 139' ' ' ALA . 14.5 mptt -82.77 2.76 32.36 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.877 -0.514 . . . . 0.0 109.809 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? 61.86 37.82 15.09 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.871 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.472 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 68.9 m-85 60.6 51.87 4.83 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.664 -0.647 . . . . 0.0 110.042 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.458 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -80.07 161.73 64.54 Favored Pre-proline 0 C--O 1.218 -0.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.5 Cg_endo -68.72 -35.43 16.41 Favored 'Trans proline' 0 C--O 1.217 -0.568 0 O-C-N 123.761 1.401 . . . . 0.0 110.978 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.36 -38.54 68.52 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.388 -0.82 . . . . 0.0 109.065 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.429 ' HB1' ' HG2' ' A' ' 133' ' ' LYS . . . -64.13 -39.07 93.24 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.432 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 31.4 m95 -70.02 -32.88 71.25 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.57 -0.707 . . . . 0.0 109.742 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -63.52 -40.57 97.39 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.324 -0.86 . . . . 0.0 108.932 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.24 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 147' ' ' ILE . 98.7 t -69.87 -23.52 25.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 121.735 -0.603 . . . . 0.0 109.681 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.476 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 3.7 tmm_? -70.87 -48.28 54.7 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.147 -0.97 . . . . 0.0 108.728 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.12 72.58 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.66 -0.65 . . . . 0.0 109.299 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -74.3 -31.46 62.5 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.9 mm -81.0 -32.06 12.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 121.092 -1.005 . . . . 0.0 109.683 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.402 ' HG3' HD21 ' A' ' 15' ' ' LEU . 29.0 ttm -73.95 -38.98 64.07 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 149' ' ' ARG . 0.9 OUTLIER -71.07 -49.69 41.92 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.715 -0.616 . . . . 0.0 109.421 179.34 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.448 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.3 m -59.94 -44.57 94.3 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.459 ' HE2' HG12 ' A' ' 60' ' ' ILE . 28.9 t80 -62.81 -42.21 99.62 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.526 -0.734 . . . . 0.0 109.177 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 28.1 t -63.84 -34.1 77.18 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.461 -0.774 . . . . 0.0 109.381 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 149' ' ' ARG . 84.7 mt -69.74 -37.15 76.38 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.691 -0.63 . . . . 0.0 109.563 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 11.1 m -70.27 -25.72 63.48 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.584 -0.697 . . . . 0.0 109.835 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 69.2 p -104.19 1.39 30.58 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.464 -0.773 . . . . 0.0 109.726 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 152' ' ' SER . 43.8 t30 . . . . . 0 CA--C 1.543 0.704 0 O-C-N 121.189 -0.945 . . . . 0.0 110.57 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.427 ' HB2' HG22 ' A' ' 155' ' ' THR . 67.6 p . . . . . 0 C--O 1.217 -0.611 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -67.94 -35.37 78.32 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 11.4 tpp85 -71.14 -37.16 72.28 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.381 -0.824 . . . . 0.0 109.221 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.4 m -62.76 -45.75 91.22 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.494 -0.754 . . . . 0.0 109.022 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 148' ' ' MET . 98.8 mt -68.82 -32.31 71.93 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.716 -0.615 . . . . 0.0 109.448 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.2 ttp -64.09 -38.94 92.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 84' ' ' PHE . 92.1 mt -60.7 -43.96 97.14 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.456 HD12 HG23 ' A' ' 147' ' ' ILE . 48.9 mt -57.89 -42.15 84.06 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.828 -0.545 . . . . 0.0 109.902 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.54 96.59 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.523 -0.736 . . . . 0.0 109.71 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -67.08 -32.12 73.08 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.942 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.483 ' SD ' HD22 ' A' ' 81' ' ' LEU . 23.8 mtm -71.98 -23.92 61.5 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -41.59 127.68 3.12 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.586 -0.696 . . . . 0.0 110.757 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -102.8 -28.36 12.12 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.835 -0.54 . . . . 0.0 110.006 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.469 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -143.49 168.86 11.85 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 O-C-N 121.268 -0.895 . . . . 0.0 110.812 -177.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -84.09 139.61 32.36 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.567 ' O ' HD11 ' A' ' 30' ' ' LEU . 56.2 tp -56.72 -38.4 72.29 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.668 -0.645 . . . . 0.0 109.416 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.767 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 96.7 m-85 -59.29 -41.56 89.22 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.91 -34.35 74.54 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.469 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 73.6 m -99.32 50.55 0.94 Allowed 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.649 -0.657 . . . . 0.0 109.551 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.767 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -81.75 4.26 22.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 179.14 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -94.76 -26.7 16.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.268 -0.895 . . . . 0.0 109.262 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -112.78 22.93 13.99 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.444 -0.785 . . . . 0.0 110.353 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.686 ' HD3' HD13 ' A' ' 30' ' ' LEU . 40.8 ptt85 -86.3 110.11 19.42 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.895 -1.128 . . . . 0.0 109.39 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -137.3 136.29 37.87 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.437 -0.79 . . . . 0.0 109.239 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.28 119.58 21.83 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -73.47 -52.31 14.11 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.575 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.13 64.86 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 74.5 t80 -64.12 129.25 93.89 Favored Pre-proline 0 C--O 1.217 -0.611 0 O-C-N 121.565 -0.962 . . . . 0.0 108.811 178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.4 Cg_endo -75.42 66.28 6.38 Favored 'Trans proline' 0 C--N 1.351 0.664 0 O-C-N 123.712 1.375 . . . . 0.0 110.977 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -19.74 61.95 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.385 -0.822 . . . . 0.0 109.99 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -58.45 -28.29 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.151 -0.968 . . . . 0.0 108.921 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.549 ' HG3' ' HB3' ' A' ' 115' ' ' SER . 6.1 tp10 -98.92 33.71 2.28 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 177.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 20.8 m-85 . . . . . 0 C--O 1.214 -0.806 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.489 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 12.2 t . . . . . 0 C--O 1.214 -0.815 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.623 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 83.1 mt -56.9 -46.16 99.89 Favored Pre-proline 0 C--O 1.216 -0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.7 Cg_endo -64.15 -29.59 65.01 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.201 1.106 . . . . 0.0 110.19 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.619 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.5 t -73.76 -34.54 40.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.595 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 22.0 mt -68.05 -38.46 82.5 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.451 -0.781 . . . . 0.0 109.071 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -65.59 -48.63 71.67 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.623 -0.673 . . . . 0.0 109.784 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HB3' HG21 ' A' ' 116' ' ' ILE . 1.7 mp0 -71.77 -28.21 63.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.315 -0.866 . . . . 0.0 110.253 -179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.478 ' HG3' HG12 ' A' ' 119' ' ' VAL . 10.2 ttt -71.59 -39.22 70.67 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.021 -1.05 . . . . 0.0 109.059 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.516 HG21 ' CD2' ' A' ' 88' ' ' LEU . 12.5 mt -73.11 -22.05 19.38 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.392 -0.818 . . . . 0.0 109.127 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -70.01 -38.72 76.02 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -69.58 -38.23 77.26 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.796 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.492 HG21 ' CE1' ' A' ' 67' ' ' PHE . 78.5 mt -70.97 -34.95 57.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.303 -0.873 . . . . 0.0 108.71 178.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' HA ' HD11 ' A' ' 88' ' ' LEU . 46.6 t80 -60.17 -44.12 95.29 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.652 -0.655 . . . . 0.0 109.649 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -78.45 -38.7 40.59 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.902 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.81 -32.44 69.36 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.427 -0.796 . . . . 0.0 109.553 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.492 ' CE1' HG21 ' A' ' 63' ' ' ILE . 18.4 m-85 -95.2 -26.14 16.1 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.894 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.8 t -75.54 -18.41 59.79 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.289 -0.882 . . . . 0.0 110.221 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.5 p -52.39 147.21 8.34 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.355 -0.841 . . . . 0.0 109.888 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -60.18 -25.33 65.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.3 m-20 -74.09 -44.2 54.91 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.44 -0.787 . . . . 0.0 109.562 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.478 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.6 t -74.3 -31.06 62.35 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.381 -0.824 . . . . 0.0 109.785 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.498 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.6 m -65.35 -32.53 74.22 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.55 -0.718 . . . . 0.0 109.42 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.73 -26.83 25.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.51 82.34 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.705 -0.622 . . . . 0.0 109.893 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -116.0 167.86 10.59 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.705 -0.622 . . . . 0.0 109.51 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -65.6 132.09 47.97 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.53 -27.72 69.35 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.487 -0.758 . . . . 0.0 110.339 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -77.88 -44.46 27.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.232 -0.917 . . . . 0.0 108.723 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 81.3 mt -62.86 -38.85 92.47 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.7 -33.48 70.94 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.74 -49.87 71.94 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -65.87 -36.03 82.28 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 31.6 t80 -64.53 -28.46 69.66 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.732 -0.605 . . . . 0.0 109.866 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -76.29 -43.34 42.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.988 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -66.31 -32.08 73.26 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.721 -0.612 . . . . 0.0 109.571 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.446 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -77.69 -34.02 53.04 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.398 -0.814 . . . . 0.0 109.08 178.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.516 ' CD2' HG21 ' A' ' 60' ' ' ILE . 43.4 mt -65.22 -39.91 93.38 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.341 -0.849 . . . . 0.0 108.895 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.517 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -75.7 -32.96 60.3 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.574 -0.704 . . . . 0.0 109.916 179.298 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -64.48 -47.57 78.46 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.035 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -69.12 -25.34 64.35 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.5 mt -72.09 -34.44 68.66 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -73.77 -35.49 64.98 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.303 -0.873 . . . . 0.0 109.088 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -68.64 -43.44 76.28 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 56' ' ' LEU . 62.0 mt . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 121.025 0.44 . . . . 0.0 110.39 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.215 -0.734 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.549 ' HB3' ' HG3' ' A' ' 42' ' ' GLU . 2.3 p -66.4 -45.06 81.23 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 108.908 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.619 HG12 ' HA ' ' A' ' 55' ' ' VAL . 79.1 mt -67.63 -36.52 76.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.6 mt -65.03 -33.31 75.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.783 -0.573 . . . . 0.0 109.649 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.429 ' C ' ' HG3' ' A' ' 39' ' ' PRO . . . -65.9 -45.98 79.99 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.478 HG12 ' HG3' ' A' ' 59' ' ' MET . 77.5 t -65.77 -28.77 44.96 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.5 -42.91 77.92 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.169 -0.957 . . . . 0.0 109.634 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 121' ' ' LYS . 3.2 tppp? -72.96 -31.61 64.68 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.436 -0.79 . . . . 0.0 109.1 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.581 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 55.9 t80 -64.12 -47.81 78.54 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.601 -0.687 . . . . 0.0 109.368 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -71.74 -28.39 63.63 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.794 -0.566 . . . . 0.0 109.987 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -63.34 -40.56 97.65 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -67.38 -39.65 85.66 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 122' ' ' TYR . 64.2 mt -60.49 -38.29 77.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 121.569 -0.707 . . . . 0.0 109.172 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 56.0 m -64.81 -38.21 90.2 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 109.159 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.39 -44.33 91.67 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -58.33 -37.14 74.54 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.779 -0.575 . . . . 0.0 109.485 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 32.3 mt -70.15 -42.41 72.58 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 121.695 -0.628 . . . . 0.0 109.554 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -71.0 -20.23 62.44 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.737 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -75.9 -51.38 12.61 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.211 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 133' ' ' LYS . 5.3 mptp? -81.03 4.31 20.14 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.873 -0.517 . . . . 0.0 109.793 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.45 38.91 22.47 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.684 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 90.2 m-85 62.05 52.57 3.25 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.691 -0.631 . . . . 0.0 110.286 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.468 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.9 m -79.94 162.25 62.96 Favored Pre-proline 0 C--O 1.218 -0.577 0 O-C-N 121.475 -0.765 . . . . 0.0 109.329 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.3 Cg_endo -69.61 -36.64 10.82 Favored 'Trans proline' 0 C--N 1.35 0.609 0 O-C-N 123.833 1.439 . . . . 0.0 111.221 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.94 -39.31 76.16 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.351 -0.843 . . . . 0.0 109.077 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.6 -41.26 92.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.479 -0.763 . . . . 0.0 109.035 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.478 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 18.4 m95 -67.3 -38.67 85.39 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.513 -0.742 . . . . 0.0 109.939 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.34 -36.71 81.98 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.412 -0.805 . . . . 0.0 109.375 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.585 HG23 ' HA ' ' A' ' 33' ' ' ARG . 41.5 t -67.54 -38.89 81.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.407 HG23 HG21 ' A' ' 126' ' ' ILE . 93.8 t -71.89 -23.75 22.35 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.439 ' C ' ' HD2' ' A' ' 144' ' ' ARG . 4.5 tmm_? -67.72 -48.84 65.37 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.54 75.94 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.662 -0.649 . . . . 0.0 109.413 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.08 -35.3 76.36 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.54 -0.725 . . . . 0.0 109.915 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.456 HG23 HD12 ' A' ' 18' ' ' LEU . 15.1 mm -77.27 -31.89 18.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.459 -0.776 . . . . 0.0 109.655 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.442 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 34.6 ttm -73.09 -37.59 66.7 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.392 -0.818 . . . . 0.0 108.84 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 149' ' ' ARG . 17.4 tpp180 -71.03 -49.86 40.31 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 121.611 -0.681 . . . . 0.0 109.357 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.537 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 73.5 p -61.2 -42.03 97.87 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.962 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.44 ' HB3' HD23 ' A' ' 15' ' ' LEU . 64.6 t80 -68.46 -34.89 76.75 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.383 -0.823 . . . . 0.0 109.645 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.5 t -68.82 -39.0 80.24 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 108.797 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.28 -41.15 98.98 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.9 m -66.12 -36.51 83.35 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.982 -0.449 . . . . 0.0 110.363 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.427 HG22 ' HB2' ' A' ' 11' ' ' SER . 69.2 p -94.79 0.81 55.22 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.184 -0.947 . . . . 0.0 110.652 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.4 t30 . . . . . 0 C--O 1.212 -0.872 0 O-C-N 121.077 -1.015 . . . . 0.0 110.969 -178.816 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.549 ' HB3' HG22 ' A' ' 155' ' ' THR . 55.3 m . . . . . 0 C--O 1.217 -0.639 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -64.23 -37.73 88.53 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.531 -0.73 . . . . 0.0 109.3 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 38.5 mmm-85 -67.82 -31.26 70.99 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.281 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -62.96 -44.32 96.36 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 151' ' ' PHE . 82.9 mt -70.57 -33.6 71.27 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.733 -0.604 . . . . 0.0 109.577 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttp -64.15 -37.55 87.87 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.345 -0.847 . . . . 0.0 108.846 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 84' ' ' PHE . 78.3 mt -63.06 -45.61 91.38 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -57.38 -39.32 75.81 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.865 -0.522 . . . . 0.0 109.961 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.3 95.1 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.455 -0.778 . . . . 0.0 109.892 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -66.89 -24.65 66.13 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.449 -0.782 . . . . 0.0 110.382 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.509 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 19.6 mtm -77.47 -19.96 55.15 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 121.15 -0.969 . . . . 0.0 110.599 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -50.35 124.59 10.8 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.094 -1.004 . . . . 0.0 110.791 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.3 mptm? -103.08 -34.15 8.99 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.478 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 2.5 pt -130.81 171.19 18.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 121.571 0.701 . . . . 0.0 110.462 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -91.3 145.47 24.62 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.522 ' O ' HD11 ' A' ' 30' ' ' LEU . 59.9 tp -59.9 -35.66 75.34 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.581 -0.699 . . . . 0.0 109.14 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.732 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 85.6 m-85 -63.5 -40.51 97.27 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 t -60.19 -28.01 67.62 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.478 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 55.4 m -107.02 51.96 0.73 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.66 -0.65 . . . . 0.0 109.691 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.732 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -80.78 3.7 21.52 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.276 -0.89 . . . . 0.0 109.979 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -88.17 -30.1 20.02 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.278 -0.889 . . . . 0.0 108.657 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.33 18.04 19.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.792 -0.568 . . . . 0.0 110.023 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HA ' HG23 ' A' ' 142' ' ' VAL . 0.6 OUTLIER -71.36 107.62 4.4 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.005 -1.06 . . . . 0.0 108.82 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -144.36 129.62 18.75 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.7 129.36 34.41 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.514 -0.741 . . . . 0.0 109.202 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 61.7 m-85 -80.19 -34.42 37.45 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.465 -0.772 . . . . 0.0 109.761 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.05 77.07 1.25 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.461 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 88.7 t80 -76.91 130.16 76.67 Favored Pre-proline 0 C--O 1.218 -0.593 0 O-C-N 121.515 -0.991 . . . . 0.0 109.184 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 55.2 Cg_endo -80.75 70.48 7.51 Favored 'Trans proline' 0 C--N 1.352 0.712 0 O-C-N 123.743 1.391 . . . . 0.0 110.955 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB2' HD11 ' A' ' 153' ' ' LEU . 13.2 tt0 -72.0 -16.93 62.08 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.325 -0.86 . . . . 0.0 109.615 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -56.43 -33.37 65.79 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.246 -0.908 . . . . 0.0 108.671 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.617 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 1.3 tp10 -92.37 29.02 1.78 Allowed 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.426 -0.796 . . . . 0.0 109.644 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.626 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 40.0 m-85 . . . . . 0 C--O 1.218 -0.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.511 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.496 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.21 -0.996 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.582 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 23.4 mt -50.48 -47.9 82.85 Favored Pre-proline 0 C--O 1.216 -0.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.999 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.4 Cg_endo -64.11 -33.62 60.72 Favored 'Trans proline' 0 C--N 1.354 0.861 0 O-C-N 123.15 1.079 . . . . 0.0 110.545 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.626 ' CG1' ' CZ ' ' A' ' 43' ' ' PHE . 47.3 t -70.98 -42.79 77.01 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.578 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 44.0 mt -64.75 -30.89 71.91 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.0 -47.09 66.39 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.452 -0.78 . . . . 0.0 109.694 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -74.18 -28.22 61.18 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 ttt -73.8 -43.39 59.01 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.202 -0.936 . . . . 0.0 109.242 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.476 HG12 ' HE1' ' A' ' 151' ' ' PHE . 10.1 mt -71.77 -22.34 21.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.41 -0.806 . . . . 0.0 109.137 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -38.11 65.43 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.92 -40.51 83.35 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.581 HG22 ' CE1' ' A' ' 67' ' ' PHE . 66.4 mt -67.72 -34.61 68.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.447 ' HA ' HD11 ' A' ' 88' ' ' LEU . 25.1 t80 -56.9 -48.84 77.26 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.686 -0.634 . . . . 0.0 109.777 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -76.98 -34.78 57.53 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.497 -0.752 . . . . 0.0 109.945 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.45 -33.49 71.35 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.516 -0.74 . . . . 0.0 109.779 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.581 ' CE1' HG22 ' A' ' 63' ' ' ILE . 60.1 m-85 -99.09 -23.18 15.35 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.534 -0.728 . . . . 0.0 110.09 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -75.36 -19.88 59.31 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.217 -0.927 . . . . 0.0 110.222 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.8 p -54.76 149.44 11.16 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.088 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -22.94 67.14 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.649 -0.657 . . . . 0.0 109.771 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.503 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.2 m-20 -74.85 -37.5 62.2 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.455 -0.778 . . . . 0.0 109.441 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.418 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 15.4 t -78.36 -31.34 48.49 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.485 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.555 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 99.2 p -68.3 -33.56 74.55 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 121.593 -0.692 . . . . 0.0 109.534 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.6 -17.49 44.58 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.29 31.68 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.447 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 69.3 m95 -118.59 170.77 8.68 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.718 -0.614 . . . . 0.0 109.733 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.41 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -61.78 130.53 46.21 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -66.16 -28.22 68.61 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.453 -0.78 . . . . 0.0 110.233 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -77.97 -44.8 25.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.136 -0.978 . . . . 0.0 108.738 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 77' ' ' ASP . 95.7 mt -62.58 -38.07 88.68 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.555 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.4 -33.61 69.63 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.87 -53.42 56.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -65.19 -35.61 81.61 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 17' ' ' LEU . 45.0 t80 -62.56 -29.18 70.39 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.795 -0.566 . . . . 0.0 109.514 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.0 m-85 -74.67 -42.26 58.79 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.216 -0.928 . . . . 0.0 109.108 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.8 m -65.41 -34.28 77.93 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.734 -0.604 . . . . 0.0 109.803 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.39 -34.61 65.62 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.411 -0.806 . . . . 0.0 109.364 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 60' ' ' ILE . 68.8 mt -69.65 -40.6 76.38 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.555 -0.716 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.514 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.0 t80 -76.17 -32.1 58.87 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.493 -0.754 . . . . 0.0 109.921 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -51.88 59.88 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.67 -30.26 71.39 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.514 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 11.7 mt -68.93 -33.17 73.29 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.646 -0.659 . . . . 0.0 109.694 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -70.09 -42.42 72.76 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.233 -0.917 . . . . 0.0 109.36 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.51 -47.05 74.2 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.434 -0.791 . . . . 0.0 109.048 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--O 1.216 -0.661 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.583 -179.475 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.213 -0.834 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.617 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 13.3 p -68.29 -45.07 74.08 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.053 -1.029 . . . . 0.0 108.41 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.589 HG12 ' HA ' ' A' ' 55' ' ' VAL . 71.5 mt -69.73 -37.37 73.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.458 HD22 ' HD3' ' A' ' 120' ' ' ARG . 1.2 mt -64.41 -30.71 71.75 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.18 -49.58 66.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.14 -27.35 42.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.921 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.458 ' HD3' HD22 ' A' ' 117' ' ' LEU . 59.9 ttt-85 -69.39 -41.23 76.75 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.47 -38.28 77.65 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.392 -0.817 . . . . 0.0 109.247 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.534 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 39.1 t80 -64.44 -46.82 81.52 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.39 -23.8 61.95 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.713 -0.617 . . . . 0.0 109.997 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -66.97 -39.59 87.26 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -69.45 -37.15 77.21 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 122' ' ' TYR . 59.8 mt -65.23 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 O-C-N 121.484 -0.76 . . . . 0.0 109.497 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 58.7 m -67.11 -42.97 83.64 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.499 -0.751 . . . . 0.0 109.68 -178.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.3 tp -67.48 -35.92 80.11 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.473 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 26.0 t80 -59.96 -40.71 89.94 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.83 -38.72 80.04 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 127' ' ' THR . 2.0 mmmp? -69.11 -27.58 65.71 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.055 -1.028 . . . . 0.0 109.387 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -70.48 -57.45 4.77 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.501 -0.75 . . . . 0.0 109.031 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.7 mptp? -75.98 -0.16 20.62 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 134' ' ' LYS . 29.4 mmmt 58.02 47.07 15.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.377 -0.827 . . . . 0.0 109.655 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.503 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 99.4 m-85 58.11 54.9 5.54 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 121.376 0.608 . . . . 0.0 110.339 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -81.69 162.02 59.36 Favored Pre-proline 0 C--O 1.217 -0.635 0 O-C-N 121.377 -0.827 . . . . 0.0 109.368 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.6 Cg_endo -68.66 -38.3 10.89 Favored 'Trans proline' 0 C--N 1.35 0.62 0 O-C-N 123.8 1.421 . . . . 0.0 111.372 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.35 -38.53 68.55 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.6 88.15 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.418 -0.801 . . . . 0.0 108.965 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.418 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.2 m95 -69.69 -34.13 73.5 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 121.529 -0.732 . . . . 0.0 109.641 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.89 -46.39 85.07 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.338 -0.851 . . . . 0.0 109.319 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.546 HG23 ' HA ' ' A' ' 33' ' ' ARG . 53.0 t -62.9 -38.5 82.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.464 HG23 HG22 ' A' ' 126' ' ' ILE . 64.0 t -72.36 -25.55 23.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 O-C-N 121.593 -0.692 . . . . 0.0 109.705 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -46.35 66.49 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.185 -0.947 . . . . 0.0 109.044 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.82 71.19 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.439 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 44.9 mm-40 -69.16 -36.08 77.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.604 -0.685 . . . . 0.0 109.855 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 147' ' ' ILE . 14.7 mm -76.57 -33.24 22.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.287 -0.883 . . . . 0.0 109.739 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.2 ttm -72.22 -39.94 68.17 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.43 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -74.09 -42.2 60.5 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.391 -0.818 . . . . 0.0 109.736 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.448 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.8 m -66.01 -40.2 90.9 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.441 -0.787 . . . . 0.0 109.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.581 ' CE2' HG22 ' A' ' 155' ' ' THR . 60.1 t80 -64.86 -38.67 91.76 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.486 -0.759 . . . . 0.0 109.271 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.4 t -65.47 -38.53 90.08 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 40' ' ' GLN . 72.2 mt -64.04 -31.2 72.3 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 109.824 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.578 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 41.4 m -79.94 -27.73 39.76 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.288 -0.883 . . . . 0.0 110.055 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.581 HG22 ' CE2' ' A' ' 151' ' ' PHE . 76.6 p -96.61 -0.61 48.34 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.371 -0.831 . . . . 0.0 110.632 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.063 . . . . 0.0 110.243 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' HG23 ' A' ' 155' ' ' THR . 45.7 p . . . . . 0 C--O 1.215 -0.719 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 tpt85 -66.12 -35.47 80.58 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.567 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 19.7 mmt85 -70.24 -33.56 71.79 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.446 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -69.37 -41.45 76.5 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.191 -0.943 . . . . 0.0 108.785 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' A' ' 148' ' ' MET . 87.7 mt -70.52 -33.35 71.08 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.664 -0.647 . . . . 0.0 110.363 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.567 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.2 ptm -70.53 -31.13 68.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.794 -1.191 . . . . 0.0 108.903 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 84' ' ' PHE . 96.8 mt -62.67 -43.37 98.98 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 144' ' ' ARG . 75.6 mt -58.75 -43.16 90.23 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.3 74.82 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.527 -0.733 . . . . 0.0 109.656 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.94 -29.43 65.45 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.511 -0.743 . . . . 0.0 109.58 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.505 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 55.6 mtp -73.54 -19.3 60.94 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.484 -0.76 . . . . 0.0 110.8 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttp85 -71.77 110.21 6.16 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.888 -1.132 . . . . 0.0 109.208 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -90.36 -36.97 14.33 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.549 -0.72 . . . . 0.0 109.687 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.689 HG13 ' CG ' ' A' ' 141' ' ' GLU . 3.2 pt -109.81 161.4 8.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 121.732 0.777 . . . . 0.0 110.425 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.1 m -83.04 144.09 30.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 63.3 tp -62.4 -35.27 78.7 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 121.545 -0.722 . . . . 0.0 109.462 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.816 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 62.2 m-85 -66.14 -39.25 89.7 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.371 -0.831 . . . . 0.0 108.897 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -59.41 -40.19 85.89 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' HD13 ' A' ' 24' ' ' ILE . 18.0 m -111.74 51.15 0.8 Allowed 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.816 ' HB3' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -108.96 7.96 26.15 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.524 -176.318 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -82.62 -33.53 27.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -99.74 17.21 21.22 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.58 -0.7 . . . . 0.0 110.124 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HD3' ' HB2' ' A' ' 30' ' ' LEU . 33.4 ptt180 -82.13 151.52 26.94 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 120.872 -1.142 . . . . 0.0 110.941 -177.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CE1' ' CE1' ' A' ' 129' ' ' TYR . 13.8 p-80 177.2 149.44 0.15 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.73 126.98 31.64 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.317 -0.865 . . . . 0.0 109.285 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.542 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 78.4 m-85 -70.92 -35.99 72.49 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.543 -0.723 . . . . 0.0 109.556 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.05 55.72 0.1 OUTLIER Glycine 0 C--O 1.217 -0.954 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 87.3 t80 -68.76 124.89 91.18 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.47 -1.018 . . . . 0.0 108.754 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -78.68 66.47 8.6 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 O-C-N 123.879 1.462 . . . . 0.0 111.052 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HG3' ' CD2' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -70.32 -20.88 62.97 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.268 -0.895 . . . . 0.0 109.618 178.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -59.81 -31.0 69.3 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -93.06 22.31 5.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 11.3 m-85 . . . . . 0 C--O 1.217 -0.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.447 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.554 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 6.4 p . . . . . 0 C--O 1.206 -1.233 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.495 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 62.5 mt -42.68 -51.4 12.01 Favored Pre-proline 0 N--CA 1.476 0.872 0 O-C-N 121.42 -0.8 . . . . 0.0 111.755 -178.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.3 Cg_endo -65.37 -35.49 39.64 Favored 'Trans proline' 0 C--N 1.354 0.83 0 O-C-N 123.1 1.053 . . . . 0.0 110.565 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.544 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.1 t -71.7 -31.88 43.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.575 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.4 mt -73.18 -29.95 63.19 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -68.15 -46.57 70.41 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.456 -0.777 . . . . 0.0 109.027 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HG3' HG22 ' A' ' 116' ' ' ILE . 61.3 mm-40 -76.92 -26.96 54.68 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.345 -0.847 . . . . 0.0 109.802 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -45.45 74.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 108.626 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.556 HG22 ' CD2' ' A' ' 88' ' ' LEU . 5.6 mt -73.67 -23.23 19.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 121.766 -0.584 . . . . 0.0 109.496 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -73.24 -36.35 66.41 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -71.29 -37.76 71.83 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.647 -0.658 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.444 HG22 ' CE1' ' A' ' 67' ' ' PHE . 77.8 mt -71.81 -32.87 46.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.513 ' HA ' HD11 ' A' ' 88' ' ' LEU . 27.3 t80 -60.8 -46.37 90.79 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.484 -0.76 . . . . 0.0 109.658 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -76.98 -36.89 56.1 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.591 -0.693 . . . . 0.0 109.911 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.8 -29.78 70.38 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 121.412 -0.805 . . . . 0.0 109.747 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CE1' HG22 ' A' ' 63' ' ' ILE . 21.4 m-85 -97.56 -25.0 15.3 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.278 -0.889 . . . . 0.0 109.947 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -75.33 -21.87 58.07 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.35 -0.844 . . . . 0.0 110.182 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.6 p -53.18 148.37 8.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.383 -0.823 . . . . 0.0 110.016 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -65.45 -26.94 68.18 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.652 -0.655 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.6 p30 -71.94 -18.41 62.01 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.39 -0.819 . . . . 0.0 109.756 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.48 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.9 m -102.77 -31.77 10.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.387 -0.82 . . . . 0.0 109.619 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 70.8 m -65.12 -30.3 71.22 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.633 -0.667 . . . . 0.0 109.293 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.58 -30.68 24.82 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.99 86.03 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.523 -0.736 . . . . 0.0 110.035 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.452 ' HB2' HD13 ' A' ' 81' ' ' LEU . 69.3 m95 -114.59 175.48 5.47 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.612 -0.68 . . . . 0.0 109.698 -178.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.38 138.91 47.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.251 -0.906 . . . . 0.0 108.952 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -27.65 66.38 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.044 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -78.89 -43.91 23.89 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.229 -0.92 . . . . 0.0 108.866 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 99.0 mt -63.63 -37.53 87.67 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.545 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.3 mt -72.31 -33.22 67.21 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -55.75 -53.35 57.7 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 83' ' ' LYS . 27.2 mmmt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.586 ' HA ' HD12 ' A' ' 17' ' ' LEU . 12.3 t80 -63.34 -34.34 77.5 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.602 -0.686 . . . . 0.0 109.233 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.17 -31.45 64.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.229 -0.92 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -70.12 -41.06 74.47 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.515 -0.74 . . . . 0.0 109.71 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.474 ' CG ' HD13 ' A' ' 17' ' ' LEU . 62.5 mm-40 -75.63 -30.01 59.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.163 -0.961 . . . . 0.0 109.636 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.556 ' CD2' HG22 ' A' ' 60' ' ' ILE . 75.0 mt -70.92 -37.74 72.91 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.154 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.53 -33.24 48.09 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.534 -0.729 . . . . 0.0 109.981 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -71.01 -47.59 57.86 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 109.123 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.507 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 5.5 tp60 -64.15 -34.55 78.32 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 mt -62.92 -43.27 99.25 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.46 -53.14 61.48 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.978 -0.451 . . . . 0.0 111.391 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' OD1' ' HA ' ' A' ' 91' ' ' GLN . 5.0 p-10 -65.36 -46.2 81.09 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.743 -1.223 . . . . 0.0 109.167 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 120.973 0.416 . . . . 0.0 109.96 178.852 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.216 -0.699 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.486 ' HB2' HG23 ' A' ' 55' ' ' VAL . 6.0 p -63.71 -47.56 80.63 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.41 -0.807 . . . . 0.0 109.013 178.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.544 HG12 ' HA ' ' A' ' 55' ' ' VAL . 82.4 mt -66.18 -34.91 73.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.37 -34.31 77.87 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.83 85.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.24 -24.65 30.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -69.02 -47.08 66.33 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -28.13 65.4 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.406 -0.809 . . . . 0.0 109.395 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 58.6 t80 -67.71 -50.07 59.43 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.493 -0.755 . . . . 0.0 109.084 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.2 -25.53 62.56 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.693 -0.629 . . . . 0.0 110.217 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -65.39 -41.01 94.13 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -67.6 -38.16 83.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.5 HG22 HD11 ' A' ' 126' ' ' ILE . 65.6 mt -63.84 -37.36 79.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 O-C-N 121.623 -0.673 . . . . 0.0 109.728 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.6 m -66.47 -43.37 85.67 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.164 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.55 -32.73 74.26 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.423 ' CE1' ' CE1' ' A' ' 34' ' ' HIS . 78.6 t80 -62.87 -45.37 92.89 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.731 -0.606 . . . . 0.0 109.373 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 57.9 mt -63.42 -39.57 94.83 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -74.6 -18.44 60.56 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.266 -0.897 . . . . 0.0 109.7 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -77.35 -51.18 11.27 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.253 -0.905 . . . . 0.0 108.902 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -80.77 1.55 29.91 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.792 -0.568 . . . . 0.0 109.584 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.46 40.71 16.83 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.795 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 59.0 m-85 60.04 51.72 5.62 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.656 -0.653 . . . . 0.0 110.082 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.46 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -75.84 162.31 72.45 Favored Pre-proline 0 C--O 1.217 -0.613 0 O-C-N 121.392 -0.818 . . . . 0.0 109.046 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.1 Cg_endo -68.95 -42.75 3.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 O-C-N 123.65 1.342 . . . . 0.0 110.993 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 27.9 m -68.64 -39.06 80.89 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.16 77.89 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.685 -0.634 . . . . 0.0 109.349 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.48 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 20.8 m95 -72.31 -29.14 63.57 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 121.58 -0.7 . . . . 0.0 110.354 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.689 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.3 tm-20 -73.59 -36.96 65.61 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.086 -1.009 . . . . 0.0 108.72 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.7 -44.17 98.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 147' ' ' ILE . 42.6 t -71.62 -27.41 28.21 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 141' ' ' GLU . 8.5 tpt85 -61.23 -54.16 47.72 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.21 -31.93 73.06 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.4 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 21.1 mm-40 -71.63 -30.91 66.29 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.595 -0.691 . . . . 0.0 110.11 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.6 mm -78.81 -32.78 15.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.458 ' HG3' HD21 ' A' ' 15' ' ' LEU . 27.8 ttm -73.75 -39.69 64.04 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.343 -0.848 . . . . 0.0 108.899 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -70.8 -45.17 65.11 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 121.562 -0.711 . . . . 0.0 109.257 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.484 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 95.5 p -63.27 -38.28 90.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.634 -0.666 . . . . 0.0 109.671 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.42 ' HE2' HG12 ' A' ' 60' ' ' ILE . 38.0 t80 -68.81 -42.19 77.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.0 t -67.36 -32.86 74.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.408 -0.807 . . . . 0.0 109.379 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 40' ' ' GLN . 38.0 mt -71.02 -36.13 72.27 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 24.5 m -69.55 -38.62 77.52 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.771 -0.581 . . . . 0.0 109.707 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.413 HG23 ' CB ' ' A' ' 11' ' ' SER . 80.4 p -93.4 1.57 56.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.476 -0.765 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 45.0 t30 . . . . . 0 C--O 1.215 -0.74 0 O-C-N 121.246 -0.909 . . . . 0.0 110.856 -179.503 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.404 ' HB3' HG22 ' A' ' 155' ' ' THR . 71.1 m . . . . . 0 C--O 1.217 -0.612 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -66.67 -43.58 84.13 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.489 -0.757 . . . . 0.0 109.819 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.7 ttp180 -74.11 -31.81 62.94 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.347 -0.846 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.455 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 21.0 m -61.93 -45.7 92.56 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.221 -0.924 . . . . 0.0 108.881 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HG3' ' A' ' 148' ' ' MET . 69.9 mt -69.25 -32.59 71.89 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.688 -0.632 . . . . 0.0 109.491 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 ttp -65.0 -35.08 80.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.374 -0.828 . . . . 0.0 108.846 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 84' ' ' PHE . 97.5 mt -66.48 -42.41 87.53 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.24 -34.55 75.33 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.671 -0.643 . . . . 0.0 109.53 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.59 -46.87 74.54 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.625 -0.672 . . . . 0.0 109.298 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -69.09 -18.97 64.05 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.49 -0.756 . . . . 0.0 109.787 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.51 ' O ' ' CZ3' ' A' ' 76' ' ' TRP . 43.3 mtp -88.04 29.97 0.89 Allowed 'General case' 0 C--O 1.207 -1.149 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 24' ' ' ILE . 33.6 ttm-85 -102.64 117.29 34.35 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 120.868 -1.145 . . . . 0.0 108.72 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.39 -31.53 13.96 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.466 -0.772 . . . . 0.0 109.574 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 2.4 pt -129.1 171.51 16.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 121.629 -0.669 . . . . 0.0 109.474 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.0 m -94.42 147.1 23.57 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.9 tp -64.51 -32.13 73.64 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.36 -39.34 92.19 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -65.91 -26.53 67.65 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.438 -0.789 . . . . 0.0 109.304 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.4 m -106.66 46.75 0.91 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.6 mt -86.68 -2.34 58.45 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.159 -0.963 . . . . 0.0 109.839 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -82.55 -29.45 30.33 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.442 -0.786 . . . . 0.0 108.994 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -117.02 30.08 7.54 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.685 -0.635 . . . . 0.0 109.496 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HA ' HG23 ' A' ' 142' ' ' VAL . 42.9 ttt-85 -79.77 122.56 26.76 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.087 -1.008 . . . . 0.0 109.228 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -139.17 121.05 15.49 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.606 -0.684 . . . . 0.0 109.367 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -78.17 138.68 38.81 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.39 -0.819 . . . . 0.0 109.243 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.519 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 55.0 m-85 -92.53 -45.17 8.25 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.522 -0.736 . . . . 0.0 109.441 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 68.54 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 68.7 t80 -64.29 133.2 95.57 Favored Pre-proline 0 C--O 1.217 -0.634 0 O-C-N 121.587 -0.949 . . . . 0.0 108.784 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.7 Cg_endo -79.66 69.85 7.76 Favored 'Trans proline' 0 C--N 1.351 0.709 0 O-C-N 123.711 1.374 . . . . 0.0 111.29 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.461 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 5.0 tm0? -77.49 -20.7 53.94 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.432 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.28 -32.72 62.62 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.26 41.53 1.11 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 4.1 m-85 . . . . . 0 CA--C 1.544 0.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.244 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.421 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 12.3 t . . . . . 0 C--O 1.214 -0.813 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 43.2 mt -58.07 -43.69 98.65 Favored Pre-proline 0 C--O 1.213 -0.84 0 O-C-N 120.952 -1.092 . . . . 0.0 110.151 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.95 -25.83 51.85 Favored 'Trans proline' 0 C--N 1.356 0.968 0 O-C-N 123.206 1.109 . . . . 0.0 110.238 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.696 ' HA ' HG12 ' A' ' 116' ' ' ILE . 5.2 t -74.41 -45.68 45.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.545 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 41.1 mt -63.04 -36.94 85.25 Favored 'General case' 0 C--O 1.21 -1.002 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 61.9 t-80 -61.22 -47.65 85.1 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.723 -0.611 . . . . 0.0 109.652 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.449 ' HG3' HG22 ' A' ' 116' ' ' ILE . 60.5 mm-40 -69.94 -28.84 65.91 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.465 -0.772 . . . . 0.0 109.758 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.1 ttt -68.59 -36.96 79.42 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.339 -0.85 . . . . 0.0 108.717 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.575 HG21 ' CD2' ' A' ' 88' ' ' LEU . 8.3 mm -67.21 -36.76 77.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 121.454 -0.778 . . . . 0.0 108.982 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -72.08 -35.35 69.21 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.606 -0.684 . . . . 0.0 109.404 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -67.64 -41.96 83.03 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.362 -0.836 . . . . 0.0 108.929 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.448 HG22 ' CE1' ' A' ' 67' ' ' PHE . 85.3 mt -71.82 -27.35 27.51 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.592 ' HA ' HD11 ' A' ' 88' ' ' LEU . 44.9 t80 -66.82 -45.98 76.6 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 121.343 -0.848 . . . . 0.0 109.607 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -74.98 -36.11 62.04 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.536 -0.728 . . . . 0.0 109.567 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.4 tp -63.15 -30.49 71.63 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.488 -0.758 . . . . 0.0 109.269 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CE1' HG22 ' A' ' 63' ' ' ILE . 6.7 m-85 -99.74 -12.59 19.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.625 -0.672 . . . . 0.0 110.296 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -86.66 -20.25 28.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.11 -0.993 . . . . 0.0 109.768 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 p -53.7 147.17 12.01 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.963 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -64.36 -25.1 67.88 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.49 -0.756 . . . . 0.0 109.72 179.44 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.478 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.5 m-20 -72.16 -39.01 69.03 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.524 -0.735 . . . . 0.0 109.027 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.457 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 84.0 p -77.35 -32.37 55.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.681 -0.637 . . . . 0.0 109.405 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.495 ' HA ' HD13 ' A' ' 81' ' ' LEU . 32.9 t -66.95 -33.07 74.77 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.317 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.79 -24.63 33.31 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -33.27 66.69 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' MET . 63.5 m95 -119.55 174.18 6.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.566 -0.709 . . . . 0.0 109.852 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.72 131.17 44.14 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.375 -0.828 . . . . 0.0 108.865 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.14 -26.52 68.57 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.518 -0.739 . . . . 0.0 110.183 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.9 m -78.53 -46.32 19.8 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.218 -0.926 . . . . 0.0 108.856 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.4 -36.52 82.58 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.99 -34.72 69.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.459 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -55.34 -49.07 73.18 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.599 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.8 -37.68 86.92 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 88' ' ' LEU . 28.7 t80 -63.25 -26.79 68.95 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.955 -0.465 . . . . 0.0 109.765 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 22.7 m-85 -75.57 -49.47 18.49 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.042 -1.036 . . . . 0.0 108.996 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.0 m -62.58 -31.19 71.97 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.776 -0.578 . . . . 0.0 109.489 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 14' ' ' THR . 16.5 tp10 -71.11 -40.05 71.71 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.392 -0.818 . . . . 0.0 109.077 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.592 HD11 ' HA ' ' A' ' 64' ' ' PHE . 67.8 mt -63.82 -44.9 91.86 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.611 -0.68 . . . . 0.0 109.291 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-85 -69.29 -28.94 66.72 Favored 'General case' 0 C--O 1.213 -0.868 0 O-C-N 121.346 -0.846 . . . . 0.0 110.084 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.58 -50.56 64.67 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.249 -0.907 . . . . 0.0 108.561 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.27 -25.78 67.03 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 18.1 mt -71.28 -34.0 70.26 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.458 -0.776 . . . . 0.0 109.235 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.85 -43.11 72.59 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.392 -0.818 . . . . 0.0 109.175 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -66.83 -45.95 76.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.496 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 57' ' ' HIS . 63.6 mt . . . . . 0 C--O 1.216 -0.692 0 O-C-N 121.855 -0.528 . . . . 0.0 110.227 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 . . . . . 0 C--O 1.216 -0.68 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.597 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 47.7 m -64.9 -41.61 95.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.696 HG12 ' HA ' ' A' ' 55' ' ' VAL . 55.4 mt -65.96 -33.29 62.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.84 -33.65 76.08 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.17 69.79 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.17 -23.28 30.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.4 ttt85 -70.86 -45.19 64.9 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.33 -0.856 . . . . 0.0 109.388 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.97 -32.18 70.27 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.425 -0.797 . . . . 0.0 108.903 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 71.5 t80 -63.63 -52.39 61.03 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -68.45 -27.92 66.59 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.757 -0.589 . . . . 0.0 110.232 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -63.7 -40.66 97.34 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -70.17 -34.08 72.56 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 122' ' ' TYR . 62.7 mt -65.65 -36.54 77.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 O-C-N 121.423 -0.798 . . . . 0.0 109.108 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.0 m -66.78 -43.76 83.16 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.421 -0.799 . . . . 0.0 109.217 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.9 -34.74 78.82 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 139' ' ' ALA . 89.2 t80 -59.48 -47.02 87.12 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.32 -37.16 82.25 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.02 -29.21 67.33 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.376 -0.827 . . . . 0.0 109.55 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.58 -52.15 28.76 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 136' ' ' SER . 14.9 mptt -82.25 3.38 27.69 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.84 -0.537 . . . . 0.0 109.839 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? 55.91 47.43 20.08 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.383 -0.823 . . . . 0.0 109.463 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 92.5 m-85 56.72 54.87 6.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.601 0.715 . . . . 0.0 109.88 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.495 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 36.9 t -80.56 152.64 72.96 Favored Pre-proline 0 C--O 1.215 -0.721 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.495 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.0 Cg_endo -63.24 -38.57 43.55 Favored 'Trans proline' 0 C--N 1.353 0.764 0 O-C-N 123.55 1.289 . . . . 0.0 110.819 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -71.69 -36.93 70.75 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.504 ' HB3' ' CE2' ' A' ' 129' ' ' TYR . . . -64.5 -41.77 96.24 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.591 -0.693 . . . . 0.0 109.148 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.457 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 19.8 m95 -66.03 -34.81 78.92 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.951 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.38 -42.95 87.17 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.113 -0.992 . . . . 0.0 108.772 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' A' ' 33' ' ' ARG . 75.5 t -59.9 -43.46 92.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 147' ' ' ILE . 62.8 t -68.69 -27.72 37.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.059 0 O-C-N 121.69 -0.631 . . . . 0.0 109.787 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.21 -52.06 51.68 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.171 -0.956 . . . . 0.0 108.699 178.508 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.21 71.32 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -75.72 -30.25 59.21 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.509 -0.744 . . . . 0.0 109.996 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.4 mm -80.34 -35.29 15.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 121.414 -0.804 . . . . 0.0 109.54 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.542 ' HG3' HD21 ' A' ' 15' ' ' LEU . 31.9 ttm -73.22 -37.97 66.21 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -70.91 -48.91 51.08 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.603 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 89.4 p -61.12 -37.96 84.65 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.78 -0.575 . . . . 0.0 109.749 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.466 ' CE2' HG22 ' A' ' 155' ' ' THR . 37.3 t80 -68.11 -41.95 81.02 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.523 -0.735 . . . . 0.0 109.591 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.3 m -65.8 -33.37 75.7 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.461 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 78.8 mt -69.91 -33.71 72.52 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.699 -0.626 . . . . 0.0 109.687 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.545 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 4.2 m -78.78 -27.47 44.55 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.193 -0.942 . . . . 0.0 109.591 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.466 HG22 ' CE2' ' A' ' 151' ' ' PHE . 68.9 p -99.07 1.21 45.01 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.702 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.4 p30 . . . . . 0 CA--C 1.544 0.72 0 O-C-N 120.803 -1.186 . . . . 0.0 110.836 -179.454 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m . . . . . 0 C--O 1.217 -0.649 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -66.82 -38.78 87.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.521 -0.737 . . . . 0.0 109.38 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 16' ' ' MET . 55.3 mtm-85 -67.17 -35.33 79.45 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.341 -0.849 . . . . 0.0 109.16 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.5 m -63.27 -41.3 99.0 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.383 -0.823 . . . . 0.0 109.24 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 151' ' ' PHE . 22.2 mt -71.59 -31.18 66.66 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.591 . . . . 0.0 110.07 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -66.12 -32.16 73.45 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.273 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.501 ' CD1' ' HA ' ' A' ' 84' ' ' PHE . 73.1 mt -64.79 -45.57 85.73 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD11 HD22 ' A' ' 15' ' ' LEU . 81.8 mt -58.74 -39.87 82.17 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.899 -0.501 . . . . 0.0 109.869 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.41 98.51 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.441 -0.787 . . . . 0.0 109.885 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -75.2 -24.56 57.8 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.534 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 51.0 mtp -73.41 -19.28 61.01 Favored 'General case' 0 C--O 1.207 -1.156 0 O-C-N 121.29 -0.881 . . . . 0.0 110.774 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -68.71 118.83 12.2 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 120.844 -1.16 . . . . 0.0 109.693 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.9 mptp? -96.01 -34.71 11.66 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.689 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.558 HG13 ' HG3' ' A' ' 141' ' ' GLU . 3.1 pt -118.63 170.53 7.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 O-C-N 121.498 -0.751 . . . . 0.0 110.216 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -101.29 156.68 17.3 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.536 -0.727 . . . . 0.0 110.029 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.07 -30.45 69.64 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -68.22 -38.15 81.58 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -67.98 -31.04 70.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.5 m -108.36 52.78 0.7 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.586 -0.697 . . . . 0.0 109.807 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -78.71 -1.97 37.07 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.067 -1.02 . . . . 0.0 110.254 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -76.97 -29.76 55.68 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.42 21.44 17.42 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.704 -0.622 . . . . 0.0 110.147 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.65 105.2 1.82 Allowed 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.067 -1.021 . . . . 0.0 109.249 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -147.21 122.31 10.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -82.14 126.05 31.6 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.381 -0.824 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.42 ' HB2' ' HE1' ' A' ' 122' ' ' TYR . 46.0 m-85 -76.61 -51.13 12.18 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.4 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.42 76.0 0.72 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.543 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.1 t80 -73.19 131.09 83.68 Favored Pre-proline 0 C--O 1.217 -0.615 0 O-C-N 121.491 -1.005 . . . . 0.0 108.712 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.543 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.5 Cg_endo -82.07 74.18 5.34 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 O-C-N 123.653 1.344 . . . . 0.0 111.191 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.73 -14.42 59.61 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.545 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.89 -32.71 69.75 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.102 -0.999 . . . . 0.0 109.112 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HG2' ' CA ' ' A' ' 115' ' ' SER . 1.6 tp10 -96.29 30.57 2.46 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.47 -0.768 . . . . 0.0 108.982 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.625 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 9.4 m-85 . . . . . 0 C--O 1.218 -0.574 0 O-C-N 121.399 -0.813 . . . . 0.0 108.832 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.213 -0.823 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.625 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 59.4 mt -60.25 -43.11 92.69 Favored Pre-proline 0 C--O 1.214 -0.792 0 O-C-N 121.026 -1.047 . . . . 0.0 110.514 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -65.91 -29.82 49.27 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 123.133 1.07 . . . . 0.0 110.106 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.722 ' HA ' HG12 ' A' ' 116' ' ' ILE . 11.8 t -73.38 -37.04 50.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.582 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 46.7 mt -71.67 -28.66 63.88 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 121.601 -0.687 . . . . 0.0 109.437 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.48 -40.65 70.12 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.36 -0.837 . . . . 0.0 108.949 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.463 ' HB3' HG21 ' A' ' 116' ' ' ILE . 15.8 tp10 -75.88 -33.67 59.97 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.09 -47.21 71.9 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.282 -0.886 . . . . 0.0 108.998 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.496 HG12 ' HE1' ' A' ' 151' ' ' PHE . 6.7 mt -72.84 -20.87 19.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 121.707 -0.621 . . . . 0.0 109.582 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -76.07 -34.96 59.58 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -74.99 -33.28 61.82 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.677 -0.639 . . . . 0.0 109.339 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.482 HD11 HG22 ' A' ' 63' ' ' ILE . 76.8 mt -76.35 -33.19 23.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 68' ' ' SER . 37.0 t80 -63.37 -44.6 94.34 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.518 -0.739 . . . . 0.0 109.431 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -79.53 -37.9 35.5 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.487 -0.758 . . . . 0.0 109.552 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.73 -32.16 68.96 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.462 -0.774 . . . . 0.0 109.469 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.476 ' CD1' HG21 ' A' ' 63' ' ' ILE . 9.3 m-85 -96.01 -27.86 14.92 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.639 -0.663 . . . . 0.0 109.982 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.5 t -72.63 -20.86 61.2 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -53.52 147.57 10.76 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.981 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -61.44 -22.44 65.03 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.691 -0.631 . . . . 0.0 110.082 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -76.27 -40.73 51.06 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.361 -0.837 . . . . 0.0 109.295 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.471 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 26.4 t -78.88 -29.82 44.63 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.434 -0.791 . . . . 0.0 109.149 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 28.8 t -66.23 -36.46 83.1 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.642 -0.661 . . . . 0.0 109.219 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.32 -27.44 32.24 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.89 71.47 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.549 -0.72 . . . . 0.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.483 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 65.3 m95 -119.83 170.18 9.46 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.384 -0.822 . . . . 0.0 109.912 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -66.48 133.68 50.89 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.38 -0.825 . . . . 0.0 108.797 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.21 -30.29 71.17 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.716 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -77.68 -43.55 30.86 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.08 -1.013 . . . . 0.0 109.155 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.4 -35.72 81.34 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -73.39 -32.53 64.51 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.42 -51.88 67.95 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.441 ' HD2' HD22 ' A' ' 17' ' ' LEU . 34.0 ttmt -64.53 -34.43 78.21 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.501 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 35.7 t80 -63.95 -33.09 74.93 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.771 -0.58 . . . . 0.0 109.601 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -73.22 -34.11 65.73 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 121.269 -0.894 . . . . 0.0 109.236 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.7 m -66.46 -42.13 88.04 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -32.15 69.46 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 60' ' ' ILE . 75.0 mt -70.35 -38.2 74.77 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.484 -0.76 . . . . 0.0 109.787 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -78.91 -33.18 45.74 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.636 -0.665 . . . . 0.0 110.644 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.56 -41.78 68.65 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -31.18 68.99 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.02 -44.56 79.95 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.6 -0.687 . . . . 0.0 109.559 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -61.53 -41.8 97.86 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.637 -0.664 . . . . 0.0 109.391 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -65.18 -43.59 91.19 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.522 -0.736 . . . . 0.0 109.279 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.498 HD21 HG21 ' A' ' 53' ' ' ILE . 73.8 mt . . . . . 0 C--O 1.217 -0.653 0 O-C-N 121.879 -0.513 . . . . 0.0 110.011 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.534 ' CA ' ' HG2' ' A' ' 42' ' ' GLU . 32.4 t -71.24 -40.13 71.24 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 121.267 -0.895 . . . . 0.0 108.773 178.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.722 HG12 ' HA ' ' A' ' 55' ' ' VAL . 28.0 mt -75.23 -37.88 40.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -32.24 73.84 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.99 66.09 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.15 -26.59 40.16 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.9 ttm-85 -71.54 -44.18 65.06 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.203 -0.935 . . . . 0.0 109.886 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.13 -30.94 63.97 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.302 -0.874 . . . . 0.0 109.289 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.434 ' OH ' ' HB3' ' A' ' 146' ' ' GLU . 36.1 t80 -67.03 -47.93 69.88 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.563 -0.71 . . . . 0.0 109.167 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -69.25 -27.53 65.53 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.702 -0.624 . . . . 0.0 109.827 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -63.93 -40.53 96.68 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -67.59 -39.06 84.84 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.472 HG22 HG23 ' A' ' 143' ' ' VAL . 64.6 mt -59.99 -40.78 84.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 24.8 m -65.63 -42.07 91.9 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.44 -37.01 85.64 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.453 -0.779 . . . . 0.0 109.443 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.416 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 19.9 t80 -64.69 -38.23 90.29 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.1 mt -66.31 -37.9 86.45 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 127' ' ' THR . 32.0 mmtp -69.12 -32.26 71.53 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.98 -50.88 60.89 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.562 -0.712 . . . . 0.0 109.997 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.543 ' HB3' ' CB ' ' A' ' 136' ' ' SER . 5.5 mptp? -83.99 4.43 29.85 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.718 -0.614 . . . . 0.0 110.022 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 54.82 48.32 20.36 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.428 -0.795 . . . . 0.0 109.231 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 58.28 56.59 4.38 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.596 -0.69 . . . . 0.0 109.881 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.543 ' CB ' ' HB3' ' A' ' 133' ' ' LYS . 46.9 t -83.95 148.94 55.2 Favored Pre-proline 0 C--O 1.216 -0.687 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.414 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.4 Cg_endo -65.26 -33.15 49.8 Favored 'Trans proline' 0 C--N 1.353 0.773 0 O-C-N 123.66 1.347 . . . . 0.0 111.176 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.98 -42.71 72.74 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.456 -0.778 . . . . 0.0 108.959 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.415 ' HB3' ' HG2' ' A' ' 133' ' ' LYS . . . -65.23 -40.04 93.55 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.483 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 17.2 m95 -63.2 -36.7 84.52 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.708 -0.62 . . . . 0.0 109.811 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.558 ' HG3' HG13 ' A' ' 24' ' ' ILE . 15.8 tm-20 -65.58 -41.99 92.25 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.23 -35.63 72.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.472 HG23 HG22 ' A' ' 126' ' ' ILE . 59.5 t -75.6 -23.92 16.84 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 121.689 -0.632 . . . . 0.0 109.523 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.476 ' HA ' ' NH1' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -66.45 -54.25 26.22 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.31 78.03 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.434 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 5.8 mm-40 -70.01 -35.82 74.66 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.622 -0.674 . . . . 0.0 110.407 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -76.24 -30.98 20.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 109.869 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 30.0 ttm -72.52 -38.98 67.91 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.392 -0.818 . . . . 0.0 109.12 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -73.38 -46.85 46.54 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.539 -0.725 . . . . 0.0 109.513 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.407 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 68.7 m -60.91 -42.98 99.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.711 -0.618 . . . . 0.0 109.952 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.496 ' HE1' HG12 ' A' ' 60' ' ' ILE . 51.3 t80 -66.31 -41.45 89.67 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.419 -0.8 . . . . 0.0 110.103 -179.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.464 ' HB3' HD12 ' A' ' 15' ' ' LEU . 78.2 p -68.34 -31.7 71.28 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.372 -0.83 . . . . 0.0 109.438 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 33.2 mt -69.41 -40.94 77.0 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.456 -0.778 . . . . 0.0 109.608 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.582 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 74.4 m -73.68 -30.36 62.84 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.716 -0.615 . . . . 0.0 110.322 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 81.8 p -97.86 -0.75 44.48 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.217 -0.927 . . . . 0.0 111.008 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.216 -0.708 0 O-C-N 120.822 -1.174 . . . . 0.0 110.372 179.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 p . . . . . 0 C--O 1.218 -0.6 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.81 -38.31 88.6 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.611 -0.681 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -70.21 -36.22 74.41 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.384 -0.823 . . . . 0.0 109.735 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.1 m -60.34 -45.58 92.95 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.429 -0.794 . . . . 0.0 109.116 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 151' ' ' PHE . 21.6 mt -67.19 -34.43 77.51 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.738 -0.601 . . . . 0.0 109.439 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -63.12 -37.93 89.16 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.315 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 84' ' ' PHE . 85.2 mt -61.76 -43.62 98.5 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.613 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 76.8 mt -58.16 -35.05 70.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.708 -0.62 . . . . 0.0 109.839 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.37 -34.67 72.87 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.41 -0.807 . . . . 0.0 109.814 179.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.76 -50.32 44.46 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.314 -0.866 . . . . 0.0 110.496 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.613 ' SD ' ' HA ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -63.78 -18.17 63.81 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.359 -0.838 . . . . 0.0 110.934 -178.581 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -52.28 109.07 0.35 Allowed 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.244 -0.91 . . . . 0.0 109.418 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 0.9 OUTLIER -92.88 -36.75 12.64 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.698 -0.626 . . . . 0.0 109.811 -179.738 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.606 HG13 ' CG ' ' A' ' 141' ' ' GLU . 3.2 pt -124.07 170.38 14.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.541 -0.724 . . . . 0.0 110.002 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -104.01 159.9 15.28 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.61 -0.681 . . . . 0.0 109.875 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.7 tp -68.82 -28.11 66.46 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.16 -37.97 78.49 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.487 -0.758 . . . . 0.0 109.119 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -68.2 -28.7 67.49 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.408 -0.807 . . . . 0.0 108.885 177.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.463 ' SG ' HD11 ' A' ' 24' ' ' ILE . 58.2 m -109.57 51.87 0.74 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.599 -0.688 . . . . 0.0 109.96 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 72.2 mt -81.31 -2.67 49.94 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 179.072 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -79.02 -33.53 44.77 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -111.08 25.32 11.88 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.875 -0.516 . . . . 0.0 109.779 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.498 ' HA ' HG23 ' A' ' 142' ' ' VAL . 60.6 ttp180 -74.3 112.13 10.16 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 120.973 -1.079 . . . . 0.0 109.071 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -146.25 115.0 6.86 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -78.52 129.1 34.46 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 71.8 m-85 -75.27 -44.77 44.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.534 -0.729 . . . . 0.0 109.703 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.87 78.61 1.02 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.55 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 91.8 t80 -67.46 133.67 92.94 Favored Pre-proline 0 C--O 1.217 -0.61 0 O-C-N 121.621 -0.929 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.3 Cg_endo -82.43 70.82 6.8 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 O-C-N 123.718 1.378 . . . . 0.0 111.091 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -73.53 -15.71 61.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 177.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.35 -33.1 69.18 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.27 -0.894 . . . . 0.0 109.494 178.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 28.9 tp10 -93.84 24.37 4.23 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.326 -0.858 . . . . 0.0 109.515 178.594 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.585 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 17.1 m-85 . . . . . 0 C--O 1.213 -0.826 0 O-C-N 121.243 -0.911 . . . . 0.0 109.759 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.5 t . . . . . 0 C--O 1.213 -0.84 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.609 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 71.3 mt -60.67 -44.63 95.86 Favored Pre-proline 0 C--O 1.214 -0.803 0 O-C-N 121.159 -0.963 . . . . 0.0 110.87 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.66 -29.19 60.43 Favored 'Trans proline' 0 C--N 1.356 0.969 0 O-C-N 123.096 1.051 . . . . 0.0 109.956 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.603 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.3 t -75.52 -38.32 38.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.546 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 63.3 mt -69.25 -27.08 65.13 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 121.508 -0.745 . . . . 0.0 109.15 178.535 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -71.57 -46.02 60.59 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.322 -0.861 . . . . 0.0 109.261 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -76.72 -26.63 54.86 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.443 -0.785 . . . . 0.0 110.07 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.445 ' HG3' HG12 ' A' ' 119' ' ' VAL . 13.9 ttt -73.89 -44.52 55.04 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.186 -0.946 . . . . 0.0 108.869 179.19 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.419 HG12 ' HE2' ' A' ' 151' ' ' PHE . 6.5 mt -71.44 -23.8 23.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.067 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -71.67 -37.18 70.79 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 176.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.94 -40.12 79.17 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.656 -0.653 . . . . 0.0 109.309 178.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 67' ' ' PHE . 77.6 mt -70.25 -30.82 44.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' A' ' 88' ' ' LEU . 26.1 t80 -62.65 -46.7 87.01 Favored 'General case' 0 C--O 1.21 -0.98 0 O-C-N 121.445 -0.784 . . . . 0.0 109.791 -179.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -79.63 -32.92 41.77 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.54 -0.725 . . . . 0.0 110.008 -179.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.41 -31.69 72.42 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.49 -0.756 . . . . 0.0 109.52 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 63' ' ' ILE . 18.5 m-85 -99.18 -25.27 14.58 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.549 -0.719 . . . . 0.0 110.055 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.459 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 10.0 t -73.82 -16.55 61.14 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.985 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.7 p -56.9 149.08 19.35 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.265 -0.897 . . . . 0.0 109.953 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.98 -24.75 68.05 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 179.3 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 7.6 m-20 -72.31 -42.98 64.84 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.492 -0.755 . . . . 0.0 109.444 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -72.08 -34.64 68.84 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.425 -0.797 . . . . 0.0 109.344 179.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 26.7 t -64.91 -31.36 72.56 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.702 -0.624 . . . . 0.0 109.59 179.239 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.44 -30.26 27.42 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.281 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.19 77.41 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.648 -0.658 . . . . 0.0 109.964 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.479 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 69.7 m95 -106.2 173.99 6.08 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -178.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.15 131.24 43.27 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -62.83 -27.89 69.64 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.491 -0.756 . . . . 0.0 110.625 -178.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -77.95 -44.08 27.87 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.093 -1.005 . . . . 0.0 108.949 179.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.56 -37.38 87.11 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -72.23 -32.69 66.94 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.657 -0.652 . . . . 0.0 109.244 177.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -56.14 -51.67 67.13 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.422 ' HG2' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -64.26 -34.87 79.11 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.178 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 17' ' ' LEU . 22.2 t80 -64.06 -30.79 71.84 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 121.756 -0.59 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.4 m-85 -73.81 -36.62 65.0 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.233 -0.917 . . . . 0.0 108.822 178.291 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.5 m -67.77 -38.43 83.38 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.76 -0.588 . . . . 0.0 109.637 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -71.12 -37.21 72.34 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.239 -0.913 . . . . 0.0 109.639 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 64' ' ' PHE . 75.0 mt -67.39 -38.9 85.41 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.522 -0.736 . . . . 0.0 109.737 179.286 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -77.08 -34.48 56.93 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.532 -0.73 . . . . 0.0 110.631 -177.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -71.05 -39.92 71.99 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.039 -1.038 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -68.19 -31.95 71.84 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.18 -48.49 70.52 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.63 -0.668 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -59.13 -39.28 81.85 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.677 -0.64 . . . . 0.0 110.002 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.9 -43.94 82.1 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.38 -0.825 . . . . 0.0 108.94 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--O 1.217 -0.651 0 CA-C-O 121.035 0.445 . . . . 0.0 110.068 179.507 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 . . . . . 0 C--O 1.218 -0.588 0 CA-C-O 120.676 0.274 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.598 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 6.4 t -74.14 -44.9 51.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.174 -0.954 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.603 HG12 ' HA ' ' A' ' 55' ' ' VAL . 75.6 mt -68.76 -32.51 55.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 O-C-N 121.26 -0.9 . . . . 0.0 109.13 178.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.83 -39.44 93.58 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.17 75.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.445 HG12 ' HG3' ' A' ' 59' ' ' MET . 95.9 t -64.4 -24.81 36.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 121.706 -0.621 . . . . 0.0 109.381 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -72.23 -41.48 66.77 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.214 -0.929 . . . . 0.0 109.785 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -70.13 -32.57 70.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.366 -0.834 . . . . 0.0 108.881 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 64.6 t80 -65.64 -51.24 61.13 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.46 -21.76 61.92 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 121.864 -0.523 . . . . 0.0 110.288 179.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -67.3 -41.36 85.51 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -68.42 -37.36 80.22 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 122' ' ' TYR . 61.6 mt -65.4 -37.77 80.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 121.606 -0.684 . . . . 0.0 109.475 178.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.0 m -69.7 -41.65 75.1 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.471 -0.768 . . . . 0.0 109.34 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -67.96 -31.11 70.6 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.145 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -65.99 -37.9 87.12 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.41 -0.806 . . . . 0.0 109.157 178.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.9 mt -68.54 -41.41 79.87 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.688 -0.633 . . . . 0.0 109.439 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -69.54 -29.07 66.58 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.666 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -71.47 -49.69 38.89 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.39 -0.818 . . . . 0.0 109.967 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 133' ' ' LYS . 14.3 mptt -82.71 3.4 29.27 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.554 -0.716 . . . . 0.0 109.805 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp 55.22 49.1 17.95 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 121.441 -0.787 . . . . 0.0 109.67 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.0 m-85 55.82 54.49 8.1 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 121.452 0.644 . . . . 0.0 110.167 179.325 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.432 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.9 t -79.58 149.86 72.18 Favored Pre-proline 0 C--O 1.215 -0.735 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.432 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.5 Cg_endo -63.04 -37.23 54.33 Favored 'Trans proline' 0 C--N 1.351 0.69 0 O-C-N 123.643 1.338 . . . . 0.0 110.744 179.349 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.66 -39.58 73.49 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.24 99.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.597 -0.69 . . . . 0.0 109.169 178.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -65.57 -34.07 77.4 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.59 -0.693 . . . . 0.0 109.754 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.606 ' CG ' HG13 ' A' ' 24' ' ' ILE . 2.9 tm-20 -63.68 -47.6 80.56 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.302 -0.874 . . . . 0.0 108.727 179.105 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 33' ' ' ARG . 75.5 t -60.0 -42.63 90.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 126' ' ' ILE . 64.0 t -69.05 -23.27 26.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.698 -0.626 . . . . 0.0 109.587 178.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.427 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 29.7 ttp85 -70.12 -47.89 59.85 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.193 -0.942 . . . . 0.0 108.779 179.225 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.28 71.14 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.204 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.8 -35.42 69.96 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.623 -0.673 . . . . 0.0 109.986 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 mm -77.75 -33.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 O-C-N 121.416 -0.802 . . . . 0.0 109.459 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.69 -40.17 69.72 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.416 -0.803 . . . . 0.0 108.903 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -69.36 -44.34 71.77 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.676 -0.64 . . . . 0.0 109.403 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.506 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.7 p -63.02 -41.92 99.67 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.869 -0.519 . . . . 0.0 109.957 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.588 ' CE1' HG22 ' A' ' 155' ' ' THR . 41.1 t80 -69.41 -37.78 77.61 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.431 -0.793 . . . . 0.0 109.603 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.8 m -68.91 -34.2 75.0 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.335 -0.853 . . . . 0.0 109.313 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 36.5 mt -66.24 -47.6 73.22 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.546 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 71.8 m -64.71 -36.64 84.93 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.972 -0.455 . . . . 0.0 110.362 -179.072 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.588 HG22 ' CE1' ' A' ' 151' ' ' PHE . 65.5 p -90.15 -4.65 57.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.607 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.217 -0.649 0 O-C-N 121.062 -1.024 . . . . 0.0 109.89 179.149 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.516 ' HB3' HG22 ' A' ' 155' ' ' THR . 69.9 m . . . . . 0 C--O 1.217 -0.637 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.1 -38.21 87.67 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.419 -0.8 . . . . 0.0 109.557 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 66.4 ttt180 -70.18 -39.39 75.29 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.395 -0.816 . . . . 0.0 109.38 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -59.08 -42.58 90.74 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.561 -0.712 . . . . 0.0 109.15 178.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD21 ' HG3' ' A' ' 148' ' ' MET . 81.4 mt -69.04 -34.09 74.66 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.735 -0.603 . . . . 0.0 109.528 178.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.9 ttp -61.61 -36.19 80.01 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 84' ' ' PHE . 79.4 mt -64.6 -44.09 91.72 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.449 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.608 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 57.0 mt -58.74 -28.89 66.29 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.957 -0.464 . . . . 0.0 110.018 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.34 -42.73 35.54 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.443 -0.785 . . . . 0.0 109.636 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.14 -29.37 69.65 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.517 -0.739 . . . . 0.0 110.243 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.649 ' HE3' ' HD2' ' A' ' 144' ' ' ARG . 5.2 ptm -90.53 31.31 1.04 Allowed 'General case' 0 C--O 1.208 -1.086 0 O-C-N 121.36 -0.838 . . . . 0.0 110.48 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -100.99 112.34 24.77 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 176.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 4.6 mptp? -87.96 -31.88 19.16 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.486 -0.759 . . . . 0.0 109.986 -178.168 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.581 HG13 ' HG3' ' A' ' 141' ' ' GLU . 1.9 pt -129.03 169.81 19.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.503 -0.748 . . . . 0.0 110.488 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -97.76 155.43 17.03 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 109.738 -179.371 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HA ' ' OE1' ' A' ' 141' ' ' GLU . 43.4 tp -66.81 -30.31 70.47 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -70.41 -35.5 73.48 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 m -69.33 -29.92 67.86 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 19.6 m -106.58 50.39 0.77 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.446 -0.784 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.0 mt -80.07 -2.86 46.17 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.106 -0.996 . . . . 0.0 110.107 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -80.06 -27.26 39.4 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.72 26.88 9.99 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.631 -0.668 . . . . 0.0 109.897 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -76.0 120.61 21.56 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.069 -1.02 . . . . 0.0 108.8 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -146.55 134.46 21.35 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.531 -0.73 . . . . 0.0 109.464 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -85.8 124.32 32.17 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.562 -0.711 . . . . 0.0 109.153 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 63.7 m-85 -82.3 -50.89 8.45 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.532 -0.73 . . . . 0.0 109.673 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.43 71.73 0.76 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 150' ' ' SER . 84.7 t80 -74.07 135.6 76.71 Favored Pre-proline 0 C--O 1.217 -0.609 0 O-C-N 121.517 -0.99 . . . . 0.0 109.489 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.52 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.6 Cg_endo -86.24 78.41 2.15 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 O-C-N 123.877 1.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.484 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.2 tm0? -83.1 -12.92 56.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.188 -0.945 . . . . 0.0 109.573 178.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.15 -25.28 67.66 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.009 -1.057 . . . . 0.0 108.971 177.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.8 tp10 -90.72 17.11 8.04 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 177.658 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 29.7 m-85 . . . . . 0 C--O 1.217 -0.647 0 O-C-N 121.33 -0.856 . . . . 0.0 108.805 179.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.622 HG21 ' HB ' ' A' ' 55' ' ' VAL . 2.0 m . . . . . 0 C--O 1.214 -0.799 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.614 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 57.0 mt -55.13 -42.15 94.4 Favored Pre-proline 0 C--O 1.212 -0.889 0 O-C-N 121.19 -0.944 . . . . 0.0 111.439 -179.012 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.5 Cg_endo -65.87 -33.11 44.11 Favored 'Trans proline' 0 C--N 1.356 0.952 0 O-C-N 123.035 1.018 . . . . 0.0 110.942 179.11 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.752 ' HA ' HG12 ' A' ' 116' ' ' ILE . 8.6 t -76.35 -37.3 31.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.621 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 69.2 mt -68.1 -31.46 71.09 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.6 -0.687 . . . . 0.0 109.206 179.238 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 60.0 t-80 -68.6 -50.49 51.13 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.667 ' HG2' HG22 ' A' ' 116' ' ' ILE . 30.0 tp10 -64.98 -37.2 86.88 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.522 -0.736 . . . . 0.0 109.588 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.5 ttt -61.05 -48.07 83.46 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.331 -0.856 . . . . 0.0 108.715 178.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.604 ' CG2' ' HG ' ' A' ' 92' ' ' LEU . 2.0 mm -57.4 -29.54 33.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.779 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -51.87 43.05 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 178.819 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -60.53 -34.88 74.77 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 121.337 -0.852 . . . . 0.0 110.413 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.1 mt -73.26 -33.53 41.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 O-C-N 121.214 -0.929 . . . . 0.0 108.543 178.38 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' HA ' HD11 ' A' ' 88' ' ' LEU . 33.7 t80 -61.74 -46.98 87.29 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.419 -0.801 . . . . 0.0 109.653 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.64 -38.32 58.96 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.638 -0.664 . . . . 0.0 109.539 -179.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.4 tp -59.55 -31.98 69.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.455 -0.778 . . . . 0.0 109.213 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.484 ' CE2' ' NH1' ' A' ' 144' ' ' ARG . 6.0 m-85 -96.76 -18.31 19.7 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.684 -0.635 . . . . 0.0 109.906 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.3 t -86.85 -15.23 39.76 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.066 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 p -54.47 148.21 12.52 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.301 -0.874 . . . . 0.0 109.814 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -63.52 -26.09 68.55 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.515 -0.741 . . . . 0.0 109.597 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -72.56 -39.97 67.02 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.474 -0.766 . . . . 0.0 109.222 178.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.539 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 97.5 p -76.72 -31.15 56.98 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.542 -0.723 . . . . 0.0 109.814 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.491 ' HA ' HD11 ' A' ' 81' ' ' LEU . 32.5 t -68.27 -32.15 72.11 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.529 -0.732 . . . . 0.0 109.674 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.56 -21.09 28.69 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.551 -0.718 . . . . 0.0 109.46 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.08 -26.59 48.25 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.377 -0.827 . . . . 0.0 110.17 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' A' ' 21' ' ' MET . 66.4 m95 -124.69 163.49 21.93 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.348 -0.845 . . . . 0.0 109.88 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.27 129.37 40.91 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.277 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 16.0 pt-20 -62.39 -24.99 67.69 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.61 -0.681 . . . . 0.0 110.248 -179.164 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.5 m -78.72 -44.73 22.82 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.175 -0.953 . . . . 0.0 108.85 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.36 -39.92 95.85 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -70.04 -33.3 71.8 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.499 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 11.4 t70 -55.31 -52.36 63.73 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 60.2 mmtt -64.04 -32.3 73.8 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.624 ' HA ' HD11 ' A' ' 17' ' ' LEU . 27.3 t80 -64.72 -33.66 76.49 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.614 -0.678 . . . . 0.0 109.457 178.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -72.73 -37.08 67.86 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.205 -0.935 . . . . 0.0 109.194 178.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.6 m -66.87 -40.79 87.95 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.544 ' HG3' HD12 ' A' ' 17' ' ' LEU . 77.6 mm-40 -70.69 -30.0 66.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.298 -0.876 . . . . 0.0 109.456 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 64' ' ' PHE . 70.7 mt -71.66 -42.1 67.92 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.526 -0.733 . . . . 0.0 109.926 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 16.6 t80 -77.11 -31.61 55.94 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.393 -0.817 . . . . 0.0 109.919 -178.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -69.35 -45.43 69.4 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.191 -0.943 . . . . 0.0 108.531 178.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.01 -28.91 68.63 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.008 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.604 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 10.8 mt -70.17 -34.05 72.52 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.555 -0.716 . . . . 0.0 109.385 178.061 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -71.06 -41.92 70.11 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.575 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.22 -43.29 74.37 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.363 -0.836 . . . . 0.0 109.287 179.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 57' ' ' HIS . 71.2 mt . . . . . 0 C--O 1.217 -0.649 0 O-C-N 121.864 -0.522 . . . . 0.0 109.89 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.5 t70 . . . . . 0 C--O 1.216 -0.708 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.568 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 21.2 t -64.54 -42.57 95.64 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 108.962 179.145 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.752 HG12 ' HA ' ' A' ' 55' ' ' VAL . 72.5 mt -68.67 -28.52 40.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.224 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 120' ' ' ARG . 13.2 mt -69.62 -31.98 70.41 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.563 -0.71 . . . . 0.0 109.376 179.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.75 -44.33 64.25 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.063 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.58 -35.22 74.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.608 -0.683 . . . . 0.0 109.998 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 12.7 ptm180 -67.52 -33.91 76.03 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.86 -1.15 . . . . 0.0 109.281 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.35 -36.84 82.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 38' ' ' PHE . 71.4 t80 -62.28 -51.41 67.81 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.21 -26.04 67.19 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.95 -0.469 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.32 -40.05 93.22 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.49 -31.45 68.56 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 122' ' ' TYR . 41.9 mt -68.53 -38.25 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.581 -0.7 . . . . 0.0 109.465 179.096 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.8 m -68.85 -36.38 78.08 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.446 -0.784 . . . . 0.0 109.185 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.17 -38.62 72.16 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.505 -0.747 . . . . 0.0 109.43 179.092 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.1 -39.07 93.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.681 -0.637 . . . . 0.0 109.354 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.03 -39.57 79.16 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -72.68 -20.97 61.14 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.696 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.96 -50.51 19.66 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.265 -0.897 . . . . 0.0 108.767 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 136' ' ' SER . 5.7 mptp? -81.32 2.73 26.95 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.803 -0.561 . . . . 0.0 109.569 178.155 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 58.49 40.52 23.85 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.326 -0.859 . . . . 0.0 109.722 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 62.83 51.94 2.85 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.602 -0.687 . . . . 0.0 110.009 178.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.493 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.4 m -79.28 162.71 62.91 Favored Pre-proline 0 C--O 1.217 -0.614 0 O-C-N 121.456 -0.777 . . . . 0.0 109.206 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.07 -40.72 4.53 Favored 'Trans proline' 0 C--N 1.349 0.564 0 O-C-N 123.67 1.353 . . . . 0.0 111.318 -179.549 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.8 -43.22 80.19 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.445 -0.784 . . . . 0.0 109.258 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.82 88.74 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.502 -0.749 . . . . 0.0 109.473 179.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.539 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 8.2 m95 -66.78 -40.5 88.22 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.481 -0.762 . . . . 0.0 109.961 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.581 ' HG3' HG13 ' A' ' 24' ' ' ILE . 6.6 tm-20 -65.42 -40.62 93.57 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.377 -0.827 . . . . 0.0 109.339 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 146' ' ' GLU . 45.1 t -59.4 -41.27 83.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.475 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.613 ' HA ' ' HG2' ' A' ' 146' ' ' GLU . 68.0 t -72.11 -23.65 21.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 O-C-N 121.974 -0.453 . . . . 0.0 109.938 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.649 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 2.4 tpp180 -70.16 -44.71 68.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 120.528 -1.357 . . . . 0.0 108.222 178.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -76.0 -18.2 59.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.613 ' HG2' ' HA ' ' A' ' 143' ' ' VAL . 0.3 OUTLIER -77.64 -34.48 53.16 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.828 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 18' ' ' LEU . 18.6 mm -77.96 -31.07 16.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.534 ' HG3' HD21 ' A' ' 15' ' ' LEU . 28.9 ttm -66.42 -47.0 74.64 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.474 -0.766 . . . . 0.0 109.354 179.158 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -49.05 65.02 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.894 -0.504 . . . . 0.0 110.033 -178.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.532 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 67.3 m -62.4 -39.42 93.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.561 -0.712 . . . . 0.0 110.136 -179.196 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.433 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 43.0 t80 -70.12 -36.18 74.64 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.544 -0.723 . . . . 0.0 109.419 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 66.6 m -69.46 -33.98 73.71 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.431 -0.793 . . . . 0.0 108.96 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.484 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 76.2 mt -66.32 -41.55 89.52 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.621 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 49.2 m -71.24 -35.3 71.39 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.645 -0.659 . . . . 0.0 109.964 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 11' ' ' SER . 35.8 p -93.09 1.67 57.1 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.475 -0.766 . . . . 0.0 110.172 -178.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 152' ' ' SER . 5.3 t-20 . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.069 -1.019 . . . . 0.0 110.589 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 C--O 1.218 -0.567 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -68.17 -43.79 77.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.42 -0.8 . . . . 0.0 109.974 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 21.9 mmt85 -70.7 -33.92 71.41 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.272 -0.893 . . . . 0.0 110.005 -179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.424 HG22 ' CE1' ' A' ' 84' ' ' PHE . 15.6 m -62.52 -42.85 99.79 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.397 -0.814 . . . . 0.0 109.475 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.586 HD21 ' HG3' ' A' ' 148' ' ' MET . 90.0 mt -68.45 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.435 -0.79 . . . . 0.0 109.596 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.73 -39.16 93.22 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.347 -0.846 . . . . 0.0 109.1 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.518 ' CD1' ' HA ' ' A' ' 84' ' ' PHE . 86.1 mt -62.78 -41.89 99.45 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' HG ' ' CE1' ' A' ' 84' ' ' PHE . 50.9 mt -58.47 -35.77 72.68 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.75 -0.594 . . . . 0.0 109.68 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.64 80.82 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.536 -0.728 . . . . 0.0 109.736 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -67.67 -33.97 76.0 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.353 -0.842 . . . . 0.0 109.697 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.462 ' HE2' ' CD2' ' A' ' 67' ' ' PHE . 9.3 mtp -67.39 -19.55 65.42 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 121.428 -0.795 . . . . 0.0 110.528 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 6.6 tmm_? -46.41 118.42 1.96 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.151 -0.968 . . . . 0.0 110.463 -179.459 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -38.8 9.54 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.268 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.53 HG13 ' HG2' ' A' ' 141' ' ' GLU . 1.6 pt -133.08 170.2 20.48 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 CA-C-O 121.369 0.604 . . . . 0.0 109.679 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -87.67 147.07 25.42 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 -179.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.18 -33.55 76.06 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -65.57 -38.46 89.62 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.526 -0.734 . . . . 0.0 109.249 178.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.8 m -67.83 -24.81 65.32 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.309 -0.869 . . . . 0.0 109.134 178.278 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.417 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 55.4 m -108.67 47.93 0.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 O-C-N 121.547 -0.721 . . . . 0.0 109.901 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.44 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 83.2 mt -85.36 0.01 53.43 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.265 -0.897 . . . . 0.0 110.241 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.68 -30.34 29.32 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.367 -0.833 . . . . 0.0 109.172 178.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -112.73 26.91 10.08 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.651 -0.656 . . . . 0.0 109.436 178.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.606 ' HA ' HG23 ' A' ' 142' ' ' VAL . 52.0 ttp180 -86.33 117.64 25.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.123 -0.986 . . . . 0.0 109.584 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -145.19 127.99 16.31 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.73 138.53 56.32 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.662 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.6 m-85 -87.99 -43.3 11.85 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.666 -0.646 . . . . 0.0 109.846 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 64.63 0.49 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.552 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 83.6 t80 -73.45 133.67 80.25 Favored Pre-proline 0 C--O 1.217 -0.642 0 O-C-N 121.582 -0.952 . . . . 0.0 109.053 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 54.8 Cg_endo -82.51 69.61 7.28 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 O-C-N 123.766 1.403 . . . . 0.0 111.045 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HG3' ' CD2' ' A' ' 153' ' ' LEU . 3.6 tm0? -74.3 -22.94 59.05 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.205 -0.935 . . . . 0.0 109.48 178.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -54.65 -26.29 32.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.363 -0.836 . . . . 0.0 109.372 178.143 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -98.17 34.23 2.0 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.21 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.488 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 20.2 m-85 . . . . . 0 C--O 1.217 -0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.228 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.433 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 14.6 t . . . . . 0 C--O 1.215 -0.747 0 CA-C-O 120.754 0.312 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 49.4 mt -57.93 -42.86 97.47 Favored Pre-proline 0 C--O 1.213 -0.851 0 O-C-N 121.054 -1.029 . . . . 0.0 110.589 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.79 -26.42 52.61 Favored 'Trans proline' 0 C--N 1.356 0.967 0 O-C-N 123.214 1.113 . . . . 0.0 110.573 178.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.727 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.49 -44.6 47.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.567 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.2 mt -62.82 -38.94 92.72 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CD2' HD22 ' A' ' 92' ' ' LEU . 57.0 t-80 -59.4 -50.66 73.1 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.762 -0.586 . . . . 0.0 109.94 -179.112 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.645 ' HG2' HG22 ' A' ' 116' ' ' ILE . 1.1 mp0 -66.22 -28.73 68.96 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.308 -0.87 . . . . 0.0 109.626 179.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.7 ttm -67.34 -39.13 85.76 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 121.338 -0.851 . . . . 0.0 108.706 177.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.576 ' CG2' ' HG ' ' A' ' 92' ' ' LEU . 25.1 mm -68.23 -29.65 45.13 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.326 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -73.68 -38.26 64.97 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -70.28 -36.83 74.63 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.458 HG22 ' CE1' ' A' ' 67' ' ' PHE . 84.2 mt -76.16 -29.49 19.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 60' ' ' ILE . 39.3 t80 -64.82 -45.95 84.04 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.293 -0.879 . . . . 0.0 109.381 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -78.92 -34.29 44.71 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.575 -0.703 . . . . 0.0 109.851 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.7 tp -62.5 -30.61 71.4 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 178.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CD2' ' HE2' ' A' ' 21' ' ' MET . 15.8 m-85 -98.92 -17.59 18.28 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.603 -0.685 . . . . 0.0 109.859 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 15.0 t -85.64 -18.94 31.81 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.204 -0.935 . . . . 0.0 109.912 178.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.3 p -53.32 149.34 7.51 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.382 -0.824 . . . . 0.0 109.915 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.43 -26.3 68.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.575 -0.703 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.2 p30 -74.66 -27.35 60.39 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.544 -0.723 . . . . 0.0 110.018 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.516 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 85.7 p -92.09 -29.72 16.39 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.264 -0.897 . . . . 0.0 109.728 179.472 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.4 t -66.53 -30.22 70.49 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.476 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.74 -25.88 26.17 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.601 -0.687 . . . . 0.0 109.213 178.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -32.78 70.67 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.507 -0.746 . . . . 0.0 110.035 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -118.67 167.47 11.62 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.688 -0.633 . . . . 0.0 109.398 -178.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.49 134.66 53.89 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.232 -0.918 . . . . 0.0 108.906 178.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -23.47 65.82 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -179.013 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -79.88 -45.99 17.63 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.093 -1.004 . . . . 0.0 108.594 178.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.39 -38.51 89.88 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.03 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.7 mt -70.2 -34.58 73.11 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.28 -53.13 57.95 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 53.2 mmtt -65.24 -31.09 72.07 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.323 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 32.1 t80 -65.23 -31.62 72.87 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.599 -0.688 . . . . 0.0 109.239 178.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.5 -36.8 65.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.19 -0.944 . . . . 0.0 109.008 178.179 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -68.52 -38.38 80.86 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.651 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -34.31 72.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.456 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' CD2' HG21 ' A' ' 60' ' ' ILE . 46.4 mt -71.1 -41.47 70.54 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.67 -0.644 . . . . 0.0 109.513 179.222 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.94 -30.73 64.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.589 -0.694 . . . . 0.0 110.494 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.64 -52.35 15.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.137 -0.977 . . . . 0.0 109.616 -179.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.444 ' NE2' HD11 ' A' ' 60' ' ' ILE . 25.2 pt20 -66.27 -21.98 66.3 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.802 179.011 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.576 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 7.2 mt -67.12 -46.8 73.04 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 176.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.08 -43.47 91.8 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.22 -40.13 95.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.41 -0.806 . . . . 0.0 109.672 178.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.0 mt . . . . . 0 C--O 1.217 -0.621 0 O-C-N 121.571 -0.706 . . . . 0.0 109.753 179.256 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--O 1.214 -0.778 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.422 ' HB2' HG23 ' A' ' 55' ' ' VAL . 4.7 p -64.36 -46.51 83.09 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.501 -0.749 . . . . 0.0 109.342 178.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.727 HG12 ' HA ' ' A' ' 55' ' ' VAL . 74.5 mt -69.27 -34.5 63.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 O-C-N 121.565 -0.71 . . . . 0.0 109.252 178.482 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.94 71.31 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.18 -48.54 61.9 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.297 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.04 -26.79 39.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -69.37 -45.0 70.37 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.369 -0.832 . . . . 0.0 109.533 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -70.17 -31.8 69.44 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.464 ' O ' HG13 ' A' ' 126' ' ' ILE . 71.5 t80 -63.48 -50.75 68.46 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.555 -0.716 . . . . 0.0 109.353 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -68.68 -28.54 66.95 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.652 -0.655 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.86 -40.85 98.75 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.265 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -68.13 -37.14 80.75 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.662 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 53.4 mt -62.04 -38.01 79.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.517 -0.739 . . . . 0.0 109.271 178.793 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 37.4 m -67.8 -36.97 81.37 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.481 -0.762 . . . . 0.0 109.658 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.3 -44.1 72.48 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.461 -0.774 . . . . 0.0 109.861 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -58.93 -38.43 78.96 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.556 -0.715 . . . . 0.0 109.308 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.66 -45.0 88.59 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.19 -20.34 63.12 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.413 -0.805 . . . . 0.0 109.719 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.53 -50.84 33.44 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.35 -0.844 . . . . 0.0 108.83 178.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -81.84 4.01 23.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.801 -0.562 . . . . 0.0 109.72 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 60.66 40.54 16.34 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.519 -0.738 . . . . 0.0 109.407 -179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.466 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 58.3 m-85 61.51 55.95 2.68 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.665 0.745 . . . . 0.0 109.586 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.46 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 32.1 t -79.96 151.31 73.21 Favored Pre-proline 0 C--O 1.216 -0.705 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.46 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.09 -35.98 50.49 Favored 'Trans proline' 0 C--N 1.352 0.739 0 O-C-N 123.633 1.333 . . . . 0.0 110.913 179.499 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.79 -39.22 70.05 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.417 -0.802 . . . . 0.0 108.894 177.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.36 95.75 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.656 -0.652 . . . . 0.0 109.241 178.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.9 m95 -66.46 -32.21 73.43 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.501 -0.75 . . . . 0.0 109.693 178.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.53 ' HG2' HG13 ' A' ' 24' ' ' ILE . 2.5 tp10 -69.79 -35.2 74.68 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.365 -0.834 . . . . 0.0 108.797 178.568 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.606 HG23 ' HA ' ' A' ' 33' ' ' ARG . 56.7 t -67.97 -36.43 75.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 147' ' ' ILE . 65.5 t -76.46 -25.59 16.4 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 121.708 -0.62 . . . . 0.0 109.844 178.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 145' ' ' ALA . 4.7 ptt85 -67.41 -49.62 63.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.137 -0.977 . . . . 0.0 108.369 178.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' A' ' 144' ' ' ARG . . . -65.41 -34.27 77.91 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.411 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.41 -31.18 66.95 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.574 -0.704 . . . . 0.0 109.75 179.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 143' ' ' VAL . 15.0 mm -77.95 -35.23 20.33 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 121.171 -0.956 . . . . 0.0 109.092 178.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.586 ' HG3' HD21 ' A' ' 15' ' ' LEU . 29.6 ttm -67.81 -42.17 81.97 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.441 -0.787 . . . . 0.0 109.013 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -69.39 -52.92 22.42 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.904 -0.498 . . . . 0.0 109.698 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.511 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 66.0 m -60.18 -35.82 76.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 122.005 -0.434 . . . . 0.0 110.019 -179.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.416 ' HE1' ' CD1' ' A' ' 60' ' ' ILE . 42.7 t80 -72.2 -38.51 69.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.476 -0.765 . . . . 0.0 109.148 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.525 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 72.3 m -67.12 -30.27 70.24 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.04 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 40' ' ' GLN . 74.6 mt -71.84 -41.34 68.25 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 27.1 m -68.14 -35.0 77.38 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.631 -0.668 . . . . 0.0 109.622 179.348 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 45.5 p -95.12 1.34 54.87 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.489 -0.757 . . . . 0.0 109.542 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.0 t-20 . . . . . 0 C--O 1.21 -1.008 0 O-C-N 121.35 -0.844 . . . . 0.0 110.764 -179.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -39.42 78.53 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.719 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -76.39 -39.93 52.35 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.231 -0.918 . . . . 0.0 109.733 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.418 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 92.8 m -63.4 -45.6 90.3 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.431 -0.793 . . . . 0.0 109.322 179.339 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 152' ' ' SER . 38.4 mt -67.55 -30.04 69.57 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.623 -0.673 . . . . 0.0 109.309 178.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -64.86 -37.87 89.07 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.3 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 84' ' ' PHE . 96.0 mt -62.83 -41.08 99.19 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.696 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 HD11 HD22 ' A' ' 15' ' ' LEU . 82.1 mt -62.1 -35.09 77.65 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.621 -0.674 . . . . 0.0 109.503 179.472 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.5 66.56 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.465 -0.772 . . . . 0.0 109.607 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.6 -24.95 65.55 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.451 -0.781 . . . . 0.0 109.669 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.648 ' HG2' ' CE3' ' A' ' 76' ' ' TRP . 41.3 ttm -59.56 -34.6 72.89 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -53.38 110.54 0.57 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.591 -0.693 . . . . 0.0 110.154 -179.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -94.15 -39.32 10.63 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.462 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.509 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 5.1 pt -109.44 170.3 3.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.155 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.1 m -93.8 145.57 24.5 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.482 -0.761 . . . . 0.0 109.265 179.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -62.95 -31.71 72.87 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -66.1 -37.6 86.16 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.528 -0.733 . . . . 0.0 109.027 178.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -65.23 -28.13 69.15 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 64.8 m -112.2 53.53 0.73 Allowed 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.673 -0.642 . . . . 0.0 110.126 -178.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.58 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 52.7 mt -85.64 7.59 22.73 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.122 -0.986 . . . . 0.0 110.127 178.659 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.76 -36.96 56.73 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.406 -0.809 . . . . 0.0 108.972 179.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.12 26.97 9.85 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.058 178.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 52.9 ttp180 -72.82 122.11 21.03 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.003 -1.061 . . . . 0.0 109.415 179.387 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -163.16 164.84 25.07 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.455 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -106.06 120.56 42.12 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.474 -0.766 . . . . 0.0 109.205 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CE1' ' HA ' ' A' ' 126' ' ' ILE . 54.1 m-85 -65.23 -46.19 81.62 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.345 179.124 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.69 68.22 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.7 t80 -71.6 131.94 85.83 Favored Pre-proline 0 C--O 1.217 -0.653 0 O-C-N 121.519 -0.989 . . . . 0.0 108.934 179.369 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.546 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.3 Cg_endo -81.53 70.65 7.23 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 O-C-N 123.722 1.38 . . . . 0.0 110.952 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.69 -19.99 60.66 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.272 -0.893 . . . . 0.0 109.347 178.478 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -29.08 67.1 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 108.874 177.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -96.43 29.98 2.71 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.625 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 4.6 m-85 . . . . . 0 C--O 1.216 -0.675 0 O-C-N 121.323 -0.861 . . . . 0.0 110.145 -179.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.481 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.211 -0.971 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.584 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 37.3 mt -52.69 -45.69 96.5 Favored Pre-proline 0 C--O 1.212 -0.896 0 O-C-N 121.295 -0.878 . . . . 0.0 111.578 -178.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -63.9 -31.23 67.52 Favored 'Trans proline' 0 C--N 1.356 0.963 0 O-C-N 123.138 1.073 . . . . 0.0 110.44 179.107 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.693 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.8 t -78.09 -33.46 18.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.618 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.598 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.2 mt -72.93 -28.26 62.35 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.463 -0.773 . . . . 0.0 109.554 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -76.31 -43.52 40.98 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.27 -179.132 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.446 ' HG2' ' CG2' ' A' ' 116' ' ' ILE . 1.1 tp10 -72.78 -33.67 66.44 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 109.403 179.317 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.531 ' HE2' ' CE1' ' A' ' 38' ' ' PHE . 10.8 ttt -71.43 -42.55 68.12 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.379 -0.826 . . . . 0.0 109.261 179.411 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.479 HG21 ' CD2' ' A' ' 88' ' ' LEU . 28.5 mt -71.01 -23.57 23.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.221 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -72.68 -33.77 66.75 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.51 -36.23 68.32 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.803 -0.561 . . . . 0.0 109.542 178.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.486 HG22 HD11 ' A' ' 63' ' ' ILE . 79.0 mt -75.52 -31.42 23.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 121.301 -0.874 . . . . 0.0 108.681 178.067 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.443 ' HA ' HD11 ' A' ' 88' ' ' LEU . 48.1 t80 -63.63 -43.83 95.65 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 121.647 -0.658 . . . . 0.0 109.402 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -80.34 -39.09 29.27 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.591 -0.693 . . . . 0.0 109.589 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 tp -57.98 -31.86 67.31 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.485 -0.759 . . . . 0.0 109.246 178.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.453 ' CE1' HG21 ' A' ' 63' ' ' ILE . 6.8 m-85 -94.52 -28.5 15.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -74.98 -15.74 60.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.308 -0.87 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 p -57.34 153.39 12.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.188 -0.945 . . . . 0.0 109.922 -179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 3.2 tppp? -64.86 -21.07 66.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.618 -0.676 . . . . 0.0 109.69 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.37 -40.83 49.99 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.409 -0.807 . . . . 0.0 109.62 179.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.47 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 25.5 t -80.02 -32.62 39.58 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.512 -0.742 . . . . 0.0 110.188 -179.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.542 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 83.3 p -65.1 -37.06 86.26 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.405 -0.809 . . . . 0.0 109.434 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.39 -19.83 35.32 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.46 58.78 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.466 -0.771 . . . . 0.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.648 ' CE3' ' HG2' ' A' ' 21' ' ' MET . 79.7 m95 -119.59 173.75 6.82 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.512 -0.743 . . . . 0.0 109.812 -178.444 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -68.89 130.87 44.02 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -28.1 69.86 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.514 -0.742 . . . . 0.0 110.593 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.8 m -77.76 -44.07 28.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.165 -0.959 . . . . 0.0 108.935 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.21 -38.4 91.02 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.542 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.21 -33.02 69.53 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 121.643 -0.661 . . . . 0.0 109.252 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.71 -53.14 61.17 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.14 -31.06 72.06 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.519 ' HA ' HD12 ' A' ' 17' ' ' LEU . 25.8 t80 -66.6 -30.97 71.38 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.662 -0.649 . . . . 0.0 109.608 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.07 -36.3 59.04 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.12 -0.987 . . . . 0.0 109.136 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.2 m -68.22 -39.75 82.28 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.587 -0.696 . . . . 0.0 109.572 -179.462 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -71.42 -33.92 69.85 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.604 179.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.479 ' CD2' HG21 ' A' ' 60' ' ' ILE . 65.2 mt -67.87 -40.87 83.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 121.41 -0.806 . . . . 0.0 109.316 178.696 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.467 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -72.37 -34.47 67.97 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.542 -0.724 . . . . 0.0 110.331 -179.276 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.69 -51.46 62.37 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.235 -0.916 . . . . 0.0 109.182 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.17 -27.49 67.33 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.1 mt -69.15 -34.58 75.21 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.482 -0.761 . . . . 0.0 109.456 178.341 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.25 -39.06 68.72 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.38 -39.25 81.83 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 109.252 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.3 mt . . . . . 0 C--O 1.216 -0.69 0 O-C-N 121.734 -0.604 . . . . 0.0 110.348 -179.626 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.214 -0.778 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.652 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 20.6 t -66.89 -35.56 80.28 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.693 HG12 ' HA ' ' A' ' 55' ' ' VAL . 58.3 mt -70.13 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.394 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -35.61 78.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.05 87.4 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.447 HG12 ' HG3' ' A' ' 59' ' ' MET . 81.4 t -66.88 -24.38 32.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.521 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.35 -46.54 69.88 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.407 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.39 -30.94 67.97 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.346 179.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.482 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 61.7 t80 -65.94 -48.81 70.12 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.545 -0.722 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -71.67 -22.31 61.68 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.727 -0.608 . . . . 0.0 110.015 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.03 -40.02 82.99 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -69.52 -38.99 77.79 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.521 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 68.6 mt -62.1 -41.95 93.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 O-C-N 121.637 -0.665 . . . . 0.0 109.555 178.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.0 m -67.56 -39.83 84.92 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.411 -0.806 . . . . 0.0 109.571 -179.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.8 -47.17 84.62 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.47 -0.769 . . . . 0.0 110.17 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.507 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 11.3 t80 -60.77 -35.0 75.31 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.482 -0.761 . . . . 0.0 109.398 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.39 -39.74 85.61 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.587 -0.696 . . . . 0.0 109.227 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -71.94 -25.74 62.0 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.283 -0.886 . . . . 0.0 109.611 178.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.37 -51.33 30.66 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.389 -0.819 . . . . 0.0 109.557 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -80.83 2.87 24.56 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.6 -0.687 . . . . 0.0 109.722 178.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 60.71 39.63 17.22 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.076 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 61.32 50.51 4.72 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.582 -0.699 . . . . 0.0 110.312 177.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.492 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.7 m -79.62 162.98 61.02 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.403 -0.81 . . . . 0.0 109.123 178.186 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -67.97 -37.63 14.76 Favored 'Trans proline' 0 C--N 1.351 0.677 0 O-C-N 123.637 1.335 . . . . 0.0 111.455 -179.241 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.46 -42.15 71.86 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.324 -0.86 . . . . 0.0 109.24 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.76 -37.74 85.42 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.47 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 20.2 m95 -68.29 -33.04 73.62 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.546 -0.721 . . . . 0.0 109.726 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -63.46 -40.32 96.8 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.342 -0.848 . . . . 0.0 108.909 178.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.544 HG23 ' HA ' ' A' ' 33' ' ' ARG . 78.0 t -65.13 -44.44 95.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.139 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.23 -22.14 25.66 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 O-C-N 121.934 -0.479 . . . . 0.0 110.074 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.446 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 25.4 ttp85 -72.51 -47.04 51.69 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.972 -1.08 . . . . 0.0 108.823 179.229 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.88 -34.38 77.66 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 53.8 mm-40 -70.68 -37.06 73.61 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.802 -0.561 . . . . 0.0 110.069 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.8 mm -73.17 -34.7 45.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.364 -0.835 . . . . 0.0 109.619 179.283 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.1 ttm -70.69 -38.99 73.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.447 -0.783 . . . . 0.0 109.203 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -70.49 -46.32 63.96 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 121.6 -0.687 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.3 p -63.69 -39.63 94.81 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.667 -0.645 . . . . 0.0 110.011 -179.455 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.418 ' HE2' ' HB ' ' A' ' 14' ' ' THR . 19.9 t80 -72.14 -36.4 69.34 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.466 -0.771 . . . . 0.0 110.02 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 15' ' ' LEU . 79.1 p -70.94 -33.58 70.63 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.385 -0.822 . . . . 0.0 108.94 178.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.89 -40.03 83.58 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' SER . . . . . 0.598 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 67.7 m -70.26 -36.94 74.78 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.82 -0.55 . . . . 0.0 110.275 -179.007 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.8 p -94.69 1.61 55.52 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.538 -179.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.214 -0.81 0 O-C-N 121.04 -1.037 . . . . 0.0 111.16 -179.23 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.588 ' HB3' ' HB ' ' A' ' 103' ' ' VAL . 1.4 p . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 121.505 0.669 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -149.0 56.89 1.02 Allowed 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.72 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 0.9 OUTLIER -96.76 -55.22 0.21 Allowed Pre-proline 0 C--O 1.217 -0.627 0 O-C-N 121.633 -0.667 . . . . 0.0 109.257 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.72 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 52.3 Cg_endo -81.85 113.2 2.46 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 123.242 1.127 . . . . 0.0 110.082 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -122.87 67.11 0.96 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.475 -0.766 . . . . 0.0 109.442 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.4 p -133.98 -74.43 0.48 Allowed 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.401 -0.812 . . . . 0.0 109.449 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -126.33 -179.55 4.8 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.277 -0.89 . . . . 0.0 109.71 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -157.91 24.12 0.27 Allowed 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.637 -0.665 . . . . 0.0 110.094 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.9 mt -119.0 37.29 4.16 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.383 -0.823 . . . . 0.0 109.496 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.31 -30.37 50.26 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.3 p -66.57 -40.05 88.78 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.398 -1.06 . . . . 0.0 109.891 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.05 -36.77 84.67 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.505 -0.747 . . . . 0.0 109.191 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 62.7 mtt85 -71.8 -37.06 70.45 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.399 -0.813 . . . . 0.0 109.492 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.0 m -59.42 -42.92 92.95 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.432 -0.792 . . . . 0.0 109.251 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.539 HD21 ' HG3' ' A' ' 148' ' ' MET . 91.6 mt -74.46 -32.84 62.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.618 -0.676 . . . . 0.0 109.632 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.3 ttp -61.64 -35.08 76.9 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 84' ' ' PHE . 90.0 mt -67.46 -45.66 75.34 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.613 HD22 ' CZ ' ' A' ' 84' ' ' PHE . 55.5 mt -58.72 -30.86 67.78 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 22' ' ' ARG . . . -70.02 -50.02 45.56 Favored 'General case' 0 C--O 1.211 -0.956 0 O-C-N 121.52 -0.737 . . . . 0.0 109.722 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -68.51 -21.0 64.61 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 120.986 -1.071 . . . . 0.0 109.898 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.532 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 53.7 mtp -73.39 -26.52 61.03 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.423 -0.798 . . . . 0.0 111.202 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 19.5 ptt-85 -64.27 124.18 21.05 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 120.702 -1.249 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.5 mptm? -90.67 -36.37 14.39 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.579 HG13 ' CG ' ' A' ' 141' ' ' GLU . 2.2 pt -115.9 170.49 5.69 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 CA-C-O 121.399 0.619 . . . . 0.0 109.363 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -97.03 154.07 17.54 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.648 -0.657 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.22 -29.62 70.92 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -68.82 -38.13 79.66 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -66.51 -27.89 68.13 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.449 -0.782 . . . . 0.0 108.896 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.541 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 35.5 m -112.84 53.37 0.75 Allowed 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.424 -0.798 . . . . 0.0 110.214 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.6 mt -83.03 3.18 31.38 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.172 -0.955 . . . . 0.0 109.816 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -81.86 -31.4 31.58 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.418 -0.801 . . . . 0.0 108.938 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -102.99 21.86 14.96 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.676 -0.64 . . . . 0.0 109.752 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -62.46 115.28 4.09 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.103 -0.998 . . . . 0.0 109.284 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -154.59 108.4 2.93 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -75.45 112.92 12.26 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.531 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 51.5 m-85 -63.44 -37.79 88.66 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.578 -0.701 . . . . 0.0 109.437 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.76 74.62 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 79.0 t80 -61.84 132.5 93.42 Favored Pre-proline 0 C--O 1.216 -0.666 0 O-C-N 121.543 -0.974 . . . . 0.0 108.46 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 49.8 Cg_endo -80.89 76.38 4.55 Favored 'Trans proline' 0 C--N 1.349 0.582 0 O-C-N 123.732 1.385 . . . . 0.0 110.857 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 40' ' ' GLN . 4.9 tt0 -81.52 -4.7 56.7 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.381 -0.824 . . . . 0.0 109.326 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.03 -32.32 69.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.147 -0.97 . . . . 0.0 108.731 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 115' ' ' SER . 2.2 tp10 -99.22 23.21 9.45 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.567 -0.708 . . . . 0.0 109.311 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.579 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 32.4 m-85 -137.35 23.44 2.97 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.373 -0.83 . . . . 0.0 109.302 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -122.86 -16.23 3.71 Favored Glycine 0 CA--C 1.536 1.353 0 O-C-N 120.939 -1.101 . . . . 0.0 111.394 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -151.23 138.63 19.46 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.055 -1.262 . . . . 0.0 109.801 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 68.02 33.61 4.49 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.214 0.531 . . . . 0.0 109.854 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.673 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 71.0 m-85 -148.09 44.27 1.06 Allowed 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.182 -0.948 . . . . 0.0 109.248 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.548 ' HG2' ' HB3' ' A' ' 157' ' ' LEU . 70.7 mt-30 -138.37 31.2 2.36 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.414 -0.804 . . . . 0.0 109.95 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -150.28 58.32 0.96 Allowed 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.392 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 59.09 34.71 23.53 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.473 -0.767 . . . . 0.0 109.717 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -30.05 6.73 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.307 -0.87 . . . . 0.0 109.819 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.673 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 8.8 t -100.0 5.11 45.13 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.352 -0.842 . . . . 0.0 109.922 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.641 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 56.7 mt -57.17 -43.48 99.27 Favored Pre-proline 0 C--O 1.215 -0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 110.128 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -65.06 -25.69 58.59 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 123.08 1.042 . . . . 0.0 110.163 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.784 ' HA ' HG12 ' A' ' 116' ' ' ILE . 17.0 t -77.23 -41.14 30.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.9 mt -66.29 -30.47 70.9 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -69.39 -49.69 52.94 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.449 -0.782 . . . . 0.0 109.48 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HB2' HG21 ' A' ' 116' ' ' ILE . 8.1 mm-40 -68.3 -30.03 68.94 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.739 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.0 ttt -67.41 -50.75 58.12 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.618 HG21 ' CD2' ' A' ' 88' ' ' LEU . 13.7 mt -66.63 -21.28 28.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 121.623 -0.673 . . . . 0.0 109.472 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.0 -40.13 63.16 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.48 -35.84 78.09 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.493 -0.755 . . . . 0.0 109.463 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.462 HG22 ' CE1' ' A' ' 67' ' ' PHE . 81.0 mt -73.53 -32.52 36.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 68' ' ' SER . 51.7 t80 -62.16 -42.78 99.59 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.734 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -80.2 -40.22 27.61 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.518 -0.739 . . . . 0.0 109.57 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.0 tp -56.88 -32.46 65.88 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.479 -0.763 . . . . 0.0 109.428 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' HD2' HD23 ' A' ' 81' ' ' LEU . 18.8 m-85 -96.24 -27.15 15.14 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.629 -0.67 . . . . 0.0 110.073 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 22.9 t -72.63 -23.03 60.87 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.254 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -53.09 146.66 10.93 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.758 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -62.26 -20.62 64.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.524 -0.735 . . . . 0.0 109.928 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.06 -39.97 60.56 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.435 -0.791 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -83.26 -28.1 29.4 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.503 -0.748 . . . . 0.0 109.404 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.507 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 30.9 t -67.62 -33.88 75.87 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.462 -0.774 . . . . 0.0 109.196 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.37 26.97 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.15 62.78 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 63.7 m95 -122.67 166.84 14.24 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.485 -0.759 . . . . 0.0 109.779 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.21 129.21 39.73 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -24.37 66.81 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.603 -0.685 . . . . 0.0 110.316 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -80.69 -45.83 16.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.157 -0.964 . . . . 0.0 108.828 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.51 -35.5 79.58 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.3 mt -74.28 -34.41 63.55 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.0 -52.86 61.82 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HD3' HD23 ' A' ' 17' ' ' LEU . 49.7 tttm -65.39 -33.6 76.34 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.613 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 36.6 t80 -65.51 -28.37 69.14 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -76.03 -39.11 56.35 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.04 -1.038 . . . . 0.0 108.872 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.9 m -68.27 -33.41 74.31 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.626 -0.671 . . . . 0.0 109.192 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -74.22 -38.02 63.68 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.51 -0.744 . . . . 0.0 109.087 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.618 ' CD2' HG21 ' A' ' 60' ' ' ILE . 74.6 mt -65.09 -39.6 93.42 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.478 -0.764 . . . . 0.0 109.078 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.478 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -75.21 -24.82 57.81 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.537 -0.727 . . . . 0.0 109.78 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -71.21 -49.4 43.88 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.191 -0.943 . . . . 0.0 108.573 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.13 -28.12 67.04 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 15.6 mt -72.16 -33.63 67.86 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.297 -0.877 . . . . 0.0 109.498 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.38 -43.14 67.46 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 109.376 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -67.69 -46.82 71.21 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.508 -0.745 . . . . 0.0 109.114 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.3 mt -60.05 -33.13 71.62 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.918 -0.489 . . . . 0.0 109.931 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 100' ' ' ILE . 88.7 tt0 -76.73 -38.58 54.0 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.43 -0.794 . . . . 0.0 110.079 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.16 -47.45 35.02 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.785 -0.572 . . . . 0.0 110.457 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.429 ' HA ' HD22 ' A' ' 3' ' ' LEU . 65.0 m -62.18 -42.97 99.78 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.376 -0.828 . . . . 0.0 109.204 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.64 -30.81 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 121.704 -0.623 . . . . 0.0 110.419 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 96' ' ' GLU . 44.4 mm -58.47 -56.26 17.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.404 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -74.83 173.94 9.9 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 121.48 -0.762 . . . . 0.0 109.284 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.0 -26.21 60.63 Favored Glycine 0 CA--C 1.537 1.455 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.588 ' HB ' ' HB3' ' A' ' 1' ' ' CYS . 16.4 m -57.73 166.7 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 O-C-N 121.594 -0.945 . . . . 0.0 110.158 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.4 -62.08 3.51 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.4 m -102.68 116.49 46.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 O-C-N 121.798 -0.825 . . . . 0.0 108.845 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.3 p -125.67 -159.29 0.89 Allowed 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.415 -0.803 . . . . 0.0 109.247 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.99 -27.65 8.19 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.503 -0.748 . . . . 0.0 110.104 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.1 m -38.98 125.47 1.23 Allowed Pre-proline 0 C--O 1.218 -0.571 0 O-C-N 121.939 -0.476 . . . . 0.0 110.193 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.51 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 43.0 Cg_endo -69.84 174.38 9.65 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 O-C-N 124.136 1.598 . . . . 0.0 111.154 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.6 mt -53.22 -8.94 0.13 Allowed 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.847 -0.533 . . . . 0.0 111.746 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.51 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 14.4 ptm -48.95 -29.8 5.21 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 120.959 -1.088 . . . . 0.0 110.175 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -58.08 -27.92 64.1 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.333 -0.855 . . . . 0.0 110.004 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.89 -28.44 69.54 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 121.492 -0.755 . . . . 0.0 110.082 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -54.44 -33.46 59.55 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.178 -0.951 . . . . 0.0 109.848 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.593 ' HB3' HG13 ' A' ' 55' ' ' VAL . 67.6 m -67.89 -41.34 82.89 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.149 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.784 HG12 ' HA ' ' A' ' 55' ' ' VAL . 14.1 mt -75.71 -37.26 35.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 0.9 OUTLIER -64.94 -31.37 72.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 39' ' ' PRO . . . -72.17 -48.1 45.93 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.171 -0.956 . . . . 0.0 108.61 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.76 -31.27 51.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 121.773 -0.58 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.61 -35.93 67.97 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.838 -1.164 . . . . 0.0 109.581 -178.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 120' ' ' ARG . 56.1 mtmt -73.07 -31.67 64.54 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.198 -0.939 . . . . 0.0 108.642 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.578 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 80.7 t80 -64.77 -50.7 65.78 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.442 ' CE2' HG12 ' A' ' 63' ' ' ILE . 23.1 m-85 -67.73 -26.85 66.35 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.782 -0.574 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -63.23 -42.04 99.19 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.67 -38.06 83.23 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.451 HG22 HG11 ' A' ' 143' ' ' VAL . 67.0 mt -60.8 -38.81 79.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 O-C-N 121.573 -0.704 . . . . 0.0 109.167 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 m -66.56 -40.36 88.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.392 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.4 -45.06 94.85 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.406 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.3 t80 -58.6 -35.21 72.07 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.674 -0.641 . . . . 0.0 109.569 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.34 -42.44 75.29 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -69.66 -26.06 64.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.909 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.59 -49.38 21.93 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.378 -0.826 . . . . 0.0 109.37 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 136' ' ' SER . 14.2 mptt -82.26 3.0 29.23 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 109.716 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 56.16 46.81 20.73 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.417 -0.802 . . . . 0.0 109.197 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.95 49.21 16.3 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.665 -0.647 . . . . 0.0 109.724 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.529 ' HB3' ' HB1' ' A' ' 139' ' ' ALA . 46.7 t -72.46 150.44 91.52 Favored Pre-proline 0 C--O 1.216 -0.684 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.455 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.4 -30.82 62.61 Favored 'Trans proline' 0 C--N 1.352 0.721 0 O-C-N 123.583 1.307 . . . . 0.0 110.759 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.07 -41.1 51.57 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 136' ' ' SER . . . -62.75 -38.52 90.87 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 109.082 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 13.6 m95 -67.43 -33.09 74.44 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.577 -0.702 . . . . 0.0 109.76 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.579 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -67.23 -46.48 73.65 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.25 -40.67 84.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.451 HG11 HG22 ' A' ' 126' ' ' ILE . 91.5 t -69.83 -26.08 29.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 121.676 -0.64 . . . . 0.0 109.478 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.602 ' HA ' ' CZ ' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -66.3 -50.6 63.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.275 -0.891 . . . . 0.0 108.826 178.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.72 -33.48 75.72 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.432 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 47.2 mm-40 -68.26 -36.78 79.96 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.617 -0.677 . . . . 0.0 109.833 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 143' ' ' VAL . 21.4 mm -72.83 -36.97 53.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 121.355 -0.841 . . . . 0.0 109.108 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.539 ' HG3' HD21 ' A' ' 15' ' ' LEU . 31.7 ttm -65.03 -45.13 86.75 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.492 -0.755 . . . . 0.0 109.904 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -69.84 -43.8 71.24 Favored 'General case' 0 C--O 1.211 -0.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.918 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.524 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 64.2 p -63.32 -40.43 97.31 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.466 -0.771 . . . . 0.0 109.876 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.472 ' HE1' ' CG1' ' A' ' 60' ' ' ILE . 45.6 t80 -71.44 -39.15 71.19 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.44 -0.787 . . . . 0.0 109.969 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 65.3 p -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.478 -0.764 . . . . 0.0 109.162 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 56.1 mt -71.87 -37.94 70.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.557 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 3.7 m -75.02 -32.85 61.7 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.548 -0.72 . . . . 0.0 109.821 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 34.0 p -89.79 -5.82 56.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.348 -0.845 . . . . 0.0 110.49 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.428 ' HA ' ' HB3' ' A' ' 160' ' ' SER . 3.8 t-20 -61.98 -20.98 64.45 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.164 -0.96 . . . . 0.0 109.587 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.548 ' HB3' ' HG2' ' A' ' 48' ' ' GLN . 2.9 mm? -78.96 -10.41 59.81 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.294 -0.879 . . . . 0.0 110.278 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -109.72 -85.95 0.53 Allowed 'General case' 0 C--O 1.216 -0.694 0 O-C-N 120.981 -1.074 . . . . 0.0 110.504 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -134.13 6.15 3.6 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.275 -0.89 . . . . 0.0 111.049 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.428 ' HB3' ' HA ' ' A' ' 156' ' ' ASN . 31.3 t -71.89 70.15 0.73 Allowed 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.366 -0.834 . . . . 0.0 109.439 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.5 mt -135.98 119.36 16.82 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.527 -0.733 . . . . 0.0 109.248 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -78.96 -6.29 55.91 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.096 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.4 p -73.11 88.72 1.45 Allowed 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.265 -0.897 . . . . 0.0 109.473 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -163.03 70.38 0.25 Allowed 'General case' 0 C--O 1.219 -0.526 0 O-C-N 121.467 -0.771 . . . . 0.0 109.218 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.886 -1.054 . . . . 0.0 109.31 179.74 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.462 ' HA ' ' CB ' ' A' ' 97' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.61 0.719 . . . . 0.0 109.694 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -128.18 94.05 3.81 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.4 mm? -58.16 -55.03 49.58 Favored Pre-proline 0 C--O 1.216 -0.686 0 O-C-N 121.681 -0.637 . . . . 0.0 109.693 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.6 Cg_endo -73.26 92.12 0.84 Allowed 'Trans proline' 0 C--N 1.356 0.93 0 O-C-N 123.581 1.306 . . . . 0.0 110.302 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -91.58 80.68 5.37 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.442 -0.786 . . . . 0.0 109.066 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.1 p -128.14 34.75 4.53 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.51 -0.744 . . . . 0.0 109.417 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -116.2 -173.62 2.4 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.365 -0.835 . . . . 0.0 109.558 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -70.56 148.04 48.62 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.279 -0.888 . . . . 0.0 109.265 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.86 135.44 34.93 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.451 -0.78 . . . . 0.0 109.597 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.22 -29.57 73.32 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m -62.72 -34.37 77.02 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.708 -0.877 . . . . 0.0 109.514 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.45 -42.43 87.62 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.592 -0.693 . . . . 0.0 109.868 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -74.19 -40.9 62.21 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.432 -0.793 . . . . 0.0 110.079 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.9 m -62.71 -45.83 90.93 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.366 -0.834 . . . . 0.0 109.605 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD23 ' HB3' ' A' ' 151' ' ' PHE . 41.7 mt -66.99 -33.31 75.29 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.712 -0.617 . . . . 0.0 109.598 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -64.81 -40.16 94.76 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.261 -0.9 . . . . 0.0 108.792 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.579 HD11 ' HA ' ' A' ' 84' ' ' PHE . 53.5 mt -60.49 -47.24 86.99 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HG ' ' CE1' ' A' ' 84' ' ' PHE . 82.7 mt -58.54 -37.7 76.24 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.818 -0.552 . . . . 0.0 109.614 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.72 -46.63 89.66 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.634 -0.666 . . . . 0.0 109.683 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -73.67 -21.35 60.29 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.508 -0.745 . . . . 0.0 110.136 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.492 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -70.91 -22.81 62.2 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 121.287 -0.883 . . . . 0.0 110.717 -179.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.458 ' HB3' ' NH2' ' A' ' 22' ' ' ARG . 12.0 ttp-105 -63.92 116.61 5.99 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.932 -1.105 . . . . 0.0 109.792 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.1 mptm? -92.67 -36.28 13.04 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.628 -0.67 . . . . 0.0 109.643 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.637 HG13 ' HG3' ' A' ' 141' ' ' GLU . 4.1 pt -114.22 165.29 9.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 121.65 0.738 . . . . 0.0 110.305 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -84.49 140.63 31.33 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.623 -0.673 . . . . 0.0 109.223 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.58 ' O ' HD11 ' A' ' 30' ' ' LEU . 43.3 tp -59.84 -39.14 84.13 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.724 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 91.1 m-85 -58.2 -41.23 83.54 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -59.03 -33.41 70.71 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.431 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 68.2 m -101.88 50.92 0.84 Allowed 'General case' 0 C--O 1.219 -0.525 0 O-C-N 121.825 -0.547 . . . . 0.0 109.602 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.724 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.84 7.34 27.52 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.316 -0.865 . . . . 0.0 109.715 178.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -101.87 -21.63 14.52 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.241 -0.912 . . . . 0.0 109.2 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.4 26.72 10.29 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.519 -0.738 . . . . 0.0 109.594 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HA ' HG23 ' A' ' 142' ' ' VAL . 57.6 ttp180 -87.09 122.29 30.7 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.057 -1.027 . . . . 0.0 109.531 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -141.17 147.99 39.3 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.599 -0.688 . . . . 0.0 109.571 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.76 126.91 33.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.528 -0.733 . . . . 0.0 109.309 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.4 m-85 -85.34 -51.37 6.61 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.594 -0.691 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 67.02 0.53 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 85.2 t80 -76.59 131.8 73.51 Favored Pre-proline 0 C--O 1.217 -0.621 0 O-C-N 121.548 -0.972 . . . . 0.0 108.826 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.526 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 55.1 Cg_endo -80.59 70.73 7.4 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 O-C-N 123.808 1.425 . . . . 0.0 111.459 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' OE1' ' HB3' ' A' ' 153' ' ' LEU . 41.8 tp60 -79.45 -22.89 43.55 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.202 -0.937 . . . . 0.0 108.996 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -28.82 65.39 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.28 -0.887 . . . . 0.0 109.167 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.1 35.91 2.26 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.485 ' CD2' ' HA ' ' A' ' 154' ' ' SER . 1.3 m-85 -134.14 -21.64 1.84 Allowed 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.362 -0.836 . . . . 0.0 111.621 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' HA2' ' CD1' ' A' ' 157' ' ' LEU . . . -90.04 -61.46 1.34 Allowed Glycine 0 C--O 1.216 -0.991 0 O-C-N 120.985 -1.072 . . . . 0.0 110.803 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -76.67 140.26 40.84 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.68 -0.894 . . . . 0.0 110.39 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 58.76 33.47 23.09 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.739 -0.601 . . . . 0.0 110.613 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CD1' HG21 ' A' ' 52' ' ' THR . 61.4 m-85 -148.37 46.08 1.05 Allowed 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.209 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 27.8 mt-30 -133.58 159.85 39.22 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.306 -0.871 . . . . 0.0 109.467 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 62.29 60.84 1.37 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.432 -0.793 . . . . 0.0 109.402 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 65.21 71.72 0.44 Allowed 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.636 -0.665 . . . . 0.0 109.989 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 25.6 mt-10 -142.14 -48.5 0.36 Allowed 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.436 -0.79 . . . . 0.0 109.13 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.584 HG21 ' CD1' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -87.68 -0.49 56.97 Favored 'General case' 0 C--O 1.21 -0.98 0 O-C-N 121.87 -0.519 . . . . 0.0 110.011 178.57 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.589 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 22.9 mt -54.57 -46.05 99.32 Favored Pre-proline 0 C--O 1.213 -0.839 0 O-C-N 120.982 -1.074 . . . . 0.0 110.496 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.1 Cg_endo -67.56 -32.24 31.71 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.204 1.107 . . . . 0.0 110.679 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.736 ' HA ' HG12 ' A' ' 116' ' ' ILE . 6.0 t -71.51 -44.88 70.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.597 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 86.9 mt -62.25 -35.61 79.47 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -59.76 -53.57 56.43 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.759 -0.588 . . . . 0.0 109.731 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 116' ' ' ILE . 3.4 mt-10 -69.27 -23.66 63.87 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.213 -0.93 . . . . 0.0 109.614 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 ttt -70.13 -35.78 74.33 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.316 -0.865 . . . . 0.0 108.746 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' CD1' ' A' ' 92' ' ' LEU . 15.3 mm -70.43 -33.1 52.41 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -68.94 -34.22 74.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.435 -0.791 . . . . 0.0 108.963 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -71.65 -41.52 68.69 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.431 -0.793 . . . . 0.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.535 HG21 ' CE1' ' A' ' 67' ' ' PHE . 77.9 mt -73.64 -25.11 20.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.337 -0.852 . . . . 0.0 108.797 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' A' ' 88' ' ' LEU . 24.6 t80 -68.03 -47.12 69.3 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.328 -0.858 . . . . 0.0 109.285 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -77.69 -34.96 52.64 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.544 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.85 -28.85 69.78 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 121.396 -0.815 . . . . 0.0 109.499 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CE1' HG21 ' A' ' 63' ' ' ILE . 10.7 m-85 -101.25 -21.78 14.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.388 -0.82 . . . . 0.0 109.926 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 8.6 t -80.17 -22.74 41.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.831 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 p -50.54 147.26 4.71 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 110.007 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.52 -26.62 68.65 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.848 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB2' ' CG ' ' A' ' 135' ' ' TYR . 1.4 p30 -74.45 -15.51 60.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.165 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.472 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.4 m -104.99 -32.96 8.5 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.338 -0.851 . . . . 0.0 109.587 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.487 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 59.9 m -64.32 -31.72 73.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.649 -0.657 . . . . 0.0 109.335 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.46 -29.99 25.63 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.31 87.08 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.693 -0.63 . . . . 0.0 110.05 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -114.27 173.88 6.23 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.602 -0.686 . . . . 0.0 109.856 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.75 132.55 45.51 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.4 pp20? -64.33 -26.38 68.45 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.439 -0.788 . . . . 0.0 110.3 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -78.68 -45.03 22.3 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.12 -0.988 . . . . 0.0 108.728 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.42 -39.46 93.37 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.84 -33.11 70.33 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 10.6 t70 -55.76 -51.49 67.19 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 74.4 mmtt -65.22 -35.11 80.03 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.579 ' HA ' HD11 ' A' ' 17' ' ' LEU . 26.2 t80 -63.66 -30.36 71.48 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.712 -0.618 . . . . 0.0 109.616 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 24.6 m-85 -75.26 -43.71 49.94 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.048 -1.033 . . . . 0.0 109.396 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -64.83 -35.3 80.66 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.561 -0.712 . . . . 0.0 109.922 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.55 ' HG3' HD13 ' A' ' 17' ' ' LEU . 60.2 mm-40 -73.94 -31.94 63.27 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.236 -0.915 . . . . 0.0 109.533 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.563 ' CD2' HG21 ' A' ' 60' ' ' ILE . 59.4 mt -69.92 -41.37 74.72 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.506 -0.746 . . . . 0.0 109.747 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 11.6 t80 -77.34 -33.93 55.32 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.264 -0.897 . . . . 0.0 110.134 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -65.53 -47.26 76.52 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.226 -0.922 . . . . 0.0 108.707 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -66.84 -28.62 68.49 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.592 ' CD1' HG23 ' A' ' 60' ' ' ILE . 7.6 mt -68.34 -35.56 77.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.543 -0.723 . . . . 0.0 109.48 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.23 -42.11 76.11 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.392 -0.818 . . . . 0.0 109.236 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.35 -41.33 85.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.485 -0.759 . . . . 0.0 109.451 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.25 -36.81 85.27 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.829 -0.544 . . . . 0.0 110.316 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.48 ' HG3' HG13 ' A' ' 100' ' ' ILE . 47.9 tp10 -74.9 -28.66 60.72 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.453 -0.78 . . . . 0.0 110.266 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 1' ' ' CYS . . . -54.45 -42.95 71.21 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.335 -0.853 . . . . 0.0 110.101 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.0 m -67.76 -37.14 81.71 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.333 -0.854 . . . . 0.0 109.502 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.77 -32.7 53.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 O-C-N 121.548 -0.72 . . . . 0.0 109.95 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.48 HG13 ' HG3' ' A' ' 96' ' ' GLU . 86.3 mt -73.32 -55.23 13.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 121.253 -0.904 . . . . 0.0 109.696 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -71.37 179.09 3.07 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.638 -0.664 . . . . 0.0 110.205 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.38 47.43 2.84 Favored Glycine 0 CA--C 1.532 1.115 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 t -86.22 177.93 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 O-C-N 121.469 -1.018 . . . . 0.0 108.348 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -51.25 108.54 0.59 Allowed Glycine 0 CA--C 1.534 1.245 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.0 t -146.49 149.93 15.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 O-C-N 121.693 -0.886 . . . . 0.0 108.712 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' A' ' 109' ' ' PRO . 37.6 p -64.25 120.09 11.5 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 109.731 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -74.36 -68.34 0.54 Allowed 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.63 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 10.3 m -149.69 43.2 0.27 Allowed Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.51 -0.744 . . . . 0.0 110.433 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.63 ' HD3' ' N ' ' A' ' 108' ' ' THR . 57.4 Cg_endo -86.57 170.42 7.75 Favored 'Trans proline' 0 C--N 1.358 1.058 0 O-C-N 122.847 0.919 . . . . 0.0 110.429 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -32.3 64.79 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.43 -0.794 . . . . 0.0 108.888 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.0 ptm -69.42 -7.65 39.57 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.524 -0.735 . . . . 0.0 110.75 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.548 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 58.1 tttm -52.43 -56.78 12.75 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.14 -0.975 . . . . 0.0 109.854 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 33.0 tt0 -107.57 -29.78 8.98 Favored 'General case' 0 C--O 1.212 -0.905 0 O-C-N 121.477 -0.764 . . . . 0.0 110.148 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -51.11 -37.15 44.24 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.357 -0.839 . . . . 0.0 110.566 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.424 ' HB2' HG23 ' A' ' 55' ' ' VAL . 16.0 p -61.15 -49.66 76.31 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.281 -0.887 . . . . 0.0 108.836 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.736 HG12 ' HA ' ' A' ' 55' ' ' VAL . 77.1 mt -67.44 -28.49 42.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.542 HD22 ' HD3' ' A' ' 120' ' ' ARG . 32.9 mt -66.25 -32.94 74.67 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -67.94 -44.67 76.27 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.02 -25.19 29.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 121.319 -0.863 . . . . 0.0 108.981 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.542 ' HD3' HD22 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.34 -43.76 73.0 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.151 -0.968 . . . . 0.0 109.92 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 118' ' ' ALA . 18.8 ptpt -69.67 -31.09 68.96 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.394 -0.816 . . . . 0.0 109.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.526 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 56.6 t80 -66.06 -51.71 55.67 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.478 -0.764 . . . . 0.0 109.076 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.48 -24.44 64.69 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.694 -0.629 . . . . 0.0 109.982 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -64.22 -41.84 96.85 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.25 -34.73 75.25 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.513 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 47.2 mt -66.09 -36.31 77.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.419 -0.801 . . . . 0.0 109.492 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.3 m -68.27 -42.89 78.91 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.422 -0.799 . . . . 0.0 109.173 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -31.79 70.62 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.554 -0.716 . . . . 0.0 109.379 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.83 -43.36 99.02 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.532 -0.73 . . . . 0.0 109.289 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 52.7 mt -67.0 -37.49 84.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -69.38 -29.55 67.34 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.489 -0.757 . . . . 0.0 109.716 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 7.2 tt0 -71.07 -50.15 36.91 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.466 -0.771 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.457 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.6 mptp? -81.29 3.67 23.22 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.767 -0.583 . . . . 0.0 109.748 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 55.23 44.85 26.93 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.438 ' CG ' ' HB2' ' A' ' 71' ' ' ASP . 32.1 m-85 59.13 53.58 5.39 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.653 -0.654 . . . . 0.0 110.025 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.435 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 18.6 m -76.12 161.17 76.28 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.381 -0.825 . . . . 0.0 109.153 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.51 -41.89 3.01 Favored 'Trans proline' 0 C--O 1.216 -0.623 0 O-C-N 123.732 1.385 . . . . 0.0 110.779 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.96 -34.87 73.96 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.494 -0.754 . . . . 0.0 109.158 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.47 86.36 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.529 -0.732 . . . . 0.0 109.356 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.472 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 17.9 m95 -70.54 -34.19 72.0 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.486 -0.759 . . . . 0.0 109.865 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.637 ' HG3' HG13 ' A' ' 24' ' ' ILE . 11.6 tm-20 -67.7 -43.08 80.93 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 33' ' ' ARG . 82.4 t -61.84 -40.99 88.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 85.4 t -71.95 -25.68 24.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.69 -0.632 . . . . 0.0 109.488 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.474 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 2.1 tmt_? -65.5 -51.12 62.32 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.63 73.02 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 120.999 0.428 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.05 -33.8 68.26 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.428 -0.795 . . . . 0.0 110.038 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 mm -76.13 -35.86 29.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.826 0 O-C-N 121.411 -0.806 . . . . 0.0 109.502 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.6 ' SD ' HD21 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -74.9 -33.72 62.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.491 -0.756 . . . . 0.0 109.217 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -43.9 57.38 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.363 -0.836 . . . . 0.0 109.05 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.593 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.9 p -65.49 -32.67 74.41 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.514 -0.741 . . . . 0.0 109.121 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.723 ' HB3' HD23 ' A' ' 15' ' ' LEU . 12.3 t80 -69.71 -44.85 69.52 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.9 t -62.9 -36.52 83.63 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.428 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . 65.6 mt -64.9 -49.98 68.34 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.605 -0.685 . . . . 0.0 109.554 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 51.5 p -60.11 -40.45 89.72 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.809 -0.557 . . . . 0.0 110.568 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.48 HG22 ' CD1' ' A' ' 151' ' ' PHE . 17.6 p -93.61 0.89 56.74 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.866 -0.521 . . . . 0.0 111.103 -175.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -63.99 -16.96 62.79 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.132 -0.98 . . . . 0.0 109.215 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.463 ' CD1' ' HA2' ' A' ' 44' ' ' GLY . 3.9 mm? -69.04 -20.69 64.13 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.39 -0.818 . . . . 0.0 109.847 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -66.71 -20.01 65.88 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.578 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -82.52 0.61 41.77 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.459 -0.776 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 92.0 p -77.62 72.21 4.15 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.259 -0.901 . . . . 0.0 109.087 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.6 mp -69.82 -166.65 0.12 Allowed 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.538 -0.726 . . . . 0.0 109.866 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -91.15 52.53 2.14 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.167 -0.958 . . . . 0.0 109.371 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 54.4 m -94.08 47.09 1.19 Allowed 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.35 -0.844 . . . . 0.0 109.262 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -154.23 41.91 0.5 Allowed 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.241 -0.912 . . . . 0.0 109.383 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.86 -1.067 . . . . 0.0 109.273 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.777 0.799 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -149.26 63.23 1.03 Allowed 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD21 ' HD3' ' A' ' 49' ' ' LYS . 64.6 mt -44.39 104.13 0.37 Allowed Pre-proline 0 C--O 1.217 -0.629 0 CA-C-O 121.445 0.641 . . . . 0.0 109.966 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -84.34 141.17 8.92 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 O-C-N 124.822 1.959 . . . . 0.0 111.197 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -159.95 60.55 0.36 Allowed 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.8 p -149.36 -55.06 0.18 Allowed 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.689 -0.632 . . . . 0.0 109.648 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -86.75 -173.75 4.63 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.386 -0.821 . . . . 0.0 109.955 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.3 p -70.83 159.26 34.92 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.441 -0.787 . . . . 0.0 109.692 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.4 mt -87.79 148.46 24.69 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.433 -0.792 . . . . 0.0 109.529 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.23 -26.21 74.25 Favored Glycine 0 CA--C 1.536 1.35 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' HB3' HG23 ' A' ' 155' ' ' THR . 72.7 p -60.62 -38.71 85.67 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.532 -0.981 . . . . 0.0 109.956 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -63.13 -41.11 99.26 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.503 -0.748 . . . . 0.0 109.584 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 20.9 tpp180 -71.04 -35.63 72.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.477 -0.765 . . . . 0.0 109.862 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.3 m -62.88 -44.98 94.65 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.389 -0.819 . . . . 0.0 109.318 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' CD2' ' HB3' ' A' ' 151' ' ' PHE . 74.7 mt -68.12 -31.68 71.45 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.586 -0.697 . . . . 0.0 109.175 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.22 -38.18 90.13 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' A' ' 84' ' ' PHE . 37.7 mt -64.1 -41.85 97.13 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 61.1 mt -60.05 -30.64 69.33 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.718 -0.614 . . . . 0.0 109.531 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.48 63.4 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.757 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.44 -39.11 74.53 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.484 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.49 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.7 ptp -65.78 -22.46 66.57 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.737 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -55.63 106.41 0.25 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.703 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -94.47 -39.14 10.58 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -106.2 170.57 2.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-O 121.524 0.678 . . . . 0.0 109.84 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.5 m -101.0 150.11 23.23 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.3 tp -64.42 -30.06 71.11 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -68.08 -37.61 81.42 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.023 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -66.71 -25.8 66.71 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.055 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.2 m -114.86 54.17 0.79 Allowed 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.502 -0.749 . . . . 0.0 109.891 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 55.9 mt -82.43 0.74 40.77 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.157 -0.964 . . . . 0.0 110.393 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -82.8 -30.04 29.12 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.301 -0.874 . . . . 0.0 108.981 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -105.88 10.82 32.37 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.75 -0.594 . . . . 0.0 109.828 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HA ' HG23 ' A' ' 142' ' ' VAL . 0.3 OUTLIER -70.9 109.91 5.32 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.239 -0.913 . . . . 0.0 109.693 -179.153 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -149.09 135.51 19.36 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.24 124.41 27.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.39 -0.819 . . . . 0.0 108.894 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 72.4 m-85 -73.24 -50.44 22.37 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.523 -0.736 . . . . 0.0 109.643 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.9 66.87 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 87.2 t80 -71.38 131.47 86.59 Favored Pre-proline 0 C--O 1.216 -0.659 0 O-C-N 121.638 -0.919 . . . . 0.0 108.999 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.0 Cg_endo -79.48 67.05 8.72 Favored 'Trans proline' 0 C--N 1.351 0.708 0 O-C-N 123.732 1.385 . . . . 0.0 111.04 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -75.1 -14.62 60.59 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.338 -0.851 . . . . 0.0 109.097 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -61.26 -30.64 70.58 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.26 -0.9 . . . . 0.0 108.783 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -95.55 26.93 3.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 9.1 m-85 -135.66 51.29 2.06 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.58 -95.55 0.34 Allowed Glycine 0 C--O 1.216 -0.992 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 9.1 t-20 -75.37 142.9 43.05 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.624 -0.927 . . . . 0.0 109.123 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 56.0 mt-30 71.51 19.89 4.99 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.793 -0.567 . . . . 0.0 110.027 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.526 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 79.9 m-85 -139.62 39.86 2.03 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 121.106 -0.996 . . . . 0.0 109.201 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.55 ' N ' ' HB2' ' A' ' 51' ' ' GLU . 13.5 mp0 -70.61 -161.24 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.417 -0.802 . . . . 0.0 110.161 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.412 ' HD3' HD21 ' A' ' 3' ' ' LEU . 40.1 ttmt -45.05 -69.93 0.12 Allowed 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.443 -0.786 . . . . 0.0 111.509 -177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.38 36.68 1.14 Allowed 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.728 -0.608 . . . . 0.0 110.939 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.55 ' HB2' ' N ' ' A' ' 48' ' ' GLN . 48.4 mm-40 -118.16 -32.08 4.82 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 120.985 -1.072 . . . . 0.0 110.071 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 14.6 t -115.41 18.46 16.01 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.317 -0.865 . . . . 0.0 110.114 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.603 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 45.1 mt -57.53 -45.02 99.89 Favored Pre-proline 0 C--O 1.215 -0.763 0 O-C-N 121.038 -1.039 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -64.67 -28.71 60.45 Favored 'Trans proline' 0 C--N 1.357 0.989 0 O-C-N 123.106 1.056 . . . . 0.0 110.635 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.626 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.9 t -76.25 -37.96 32.85 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.837 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.592 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 40.9 mt -67.83 -31.3 71.05 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -69.48 -47.86 62.55 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.447 -0.783 . . . . 0.0 109.672 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -73.08 -31.5 64.42 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.5 -0.75 . . . . 0.0 110.299 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.447 ' CG ' HG12 ' A' ' 119' ' ' VAL . 8.0 ttt -71.66 -41.78 68.3 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.199 -0.938 . . . . 0.0 109.063 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.593 HG21 ' CD2' ' A' ' 88' ' ' LEU . 3.5 mt -70.01 -27.11 31.45 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 O-C-N 121.421 -0.799 . . . . 0.0 108.9 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.68 -38.36 70.62 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -67.11 -37.62 84.23 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.5 -0.75 . . . . 0.0 109.38 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.502 HG22 ' CE1' ' A' ' 67' ' ' PHE . 75.8 mt -72.81 -30.78 34.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 88' ' ' LEU . 15.4 t80 -62.17 -48.46 79.99 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 121.459 -0.775 . . . . 0.0 109.433 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -76.71 -37.11 56.64 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.502 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.5 tp -57.94 -33.35 68.72 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.526 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.502 ' CE1' HG22 ' A' ' 63' ' ' ILE . 17.9 m-85 -97.18 -24.05 15.91 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 110.047 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 13.2 t -77.67 -17.5 57.62 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.0 p -55.97 150.41 13.56 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.228 -0.92 . . . . 0.0 110.213 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.8 -25.49 67.52 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 109.99 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.99 -32.89 57.55 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.44 -0.788 . . . . 0.0 110.063 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.495 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 23.7 t -86.19 -32.59 21.13 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.255 -0.903 . . . . 0.0 109.705 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 26.5 t -64.62 -36.44 84.27 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.584 -0.697 . . . . 0.0 109.258 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -24.43 33.04 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.48 72.28 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.46 -0.775 . . . . 0.0 109.999 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.59 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 78.9 m95 -118.47 176.16 5.38 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.636 -0.665 . . . . 0.0 109.897 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 133.93 49.16 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -67.92 -28.13 67.23 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.352 -0.843 . . . . 0.0 110.564 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.1 m -78.12 -44.33 26.39 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.059 -1.025 . . . . 0.0 109.001 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.9 -38.5 91.2 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 76' ' ' TRP . 11.3 mt -71.45 -33.21 69.17 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -49.16 74.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -64.95 -34.59 78.77 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.436 ' HA ' HD11 ' A' ' 17' ' ' LEU . 12.7 t80 -64.1 -32.29 73.8 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.786 -0.571 . . . . 0.0 109.659 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -76.63 -35.37 58.08 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.042 -1.036 . . . . 0.0 109.597 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.9 m -69.24 -39.93 78.2 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.453 -0.78 . . . . 0.0 109.868 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.41 -34.04 65.28 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.275 -0.891 . . . . 0.0 109.823 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.593 ' CD2' HG21 ' A' ' 60' ' ' ILE . 81.8 mt -69.49 -38.72 77.77 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.378 -0.826 . . . . 0.0 109.372 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.6 -38.04 59.36 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.55 -0.719 . . . . 0.0 110.527 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -68.71 -45.95 70.23 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.187 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -66.7 -26.22 66.92 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.551 -0.718 . . . . 0.0 109.192 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.17 -47.11 63.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.367 -0.833 . . . . 0.0 109.452 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.56 -32.7 74.45 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.507 -0.745 . . . . 0.0 109.967 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.83 61.99 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.261 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.5 mt -65.39 -43.24 91.31 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 100' ' ' ILE . 11.5 pt-20 -73.76 -30.91 63.06 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.507 -0.746 . . . . 0.0 109.881 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.24 81.02 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.462 -0.774 . . . . 0.0 109.519 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 65.4 m -65.47 -44.24 87.78 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.487 -0.758 . . . . 0.0 109.014 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.96 -42.02 91.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 O-C-N 121.679 -0.638 . . . . 0.0 110.025 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 96' ' ' GLU . 92.4 mt -58.3 -51.29 73.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 O-C-N 121.4 -0.812 . . . . 0.0 109.256 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -74.37 -174.95 2.16 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.854 -0.529 . . . . 0.0 109.598 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.68 -14.28 60.22 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.5 t -71.55 172.4 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 121.057 -1.261 . . . . 0.0 109.067 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.04 -149.86 19.16 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.515 HG11 ' HG3' ' A' ' 54' ' ' PRO . 3.4 p -154.25 130.14 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 O-C-N 121.29 -1.123 . . . . 0.0 110.063 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 107' ' ' GLU . 19.2 m -153.77 29.25 0.47 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 121.913 0.863 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 106' ' ' THR . 60.2 mm-40 -28.25 -76.24 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.743 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.498 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 4.9 m -169.09 -60.49 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.744 0 O-C-N 121.47 -0.769 . . . . 0.0 110.578 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.498 ' HD3' ' HB ' ' A' ' 108' ' ' THR . 38.2 Cg_endo -64.66 170.48 9.8 Favored 'Trans proline' 0 C--N 1.356 0.922 0 O-C-N 123.605 1.319 . . . . 0.0 112.537 -176.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.8 -6.01 34.55 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.3 tpp -44.01 -36.79 2.65 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.242 -0.911 . . . . 0.0 110.447 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -60.96 -36.95 80.75 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.511 -0.743 . . . . 0.0 109.989 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -92.55 -27.86 17.12 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.449 -0.782 . . . . 0.0 109.917 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -58.62 -36.04 73.44 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.23 -0.919 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.403 ' HB2' HG23 ' A' ' 55' ' ' VAL . 1.4 p -64.13 -43.75 94.29 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.626 HG12 ' HA ' ' A' ' 55' ' ' VAL . 76.3 mt -66.2 -33.08 61.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 mt -66.31 -34.52 78.18 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.686 -0.634 . . . . 0.0 109.555 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.95 -48.65 73.31 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.447 HG12 ' CG ' ' A' ' 59' ' ' MET . 91.3 t -63.27 -27.24 42.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.4 -43.0 95.78 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.464 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -69.23 -34.14 74.37 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.434 -0.791 . . . . 0.0 109.453 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.611 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 67.4 t80 -63.55 -50.89 67.74 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.487 -0.758 . . . . 0.0 109.686 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.47 -20.73 61.33 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.635 -0.666 . . . . 0.0 110.411 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -40.43 81.93 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 21.1 tpt180 -68.68 -39.06 80.74 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.488 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 64.4 mt -61.74 -39.51 83.58 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.628 -0.67 . . . . 0.0 109.616 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -66.98 -36.29 81.85 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.73 -38.55 80.27 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 121.45 -0.781 . . . . 0.0 109.291 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.47 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -63.02 -35.33 79.86 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.543 -0.723 . . . . 0.0 109.694 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 79.1 mt -72.41 -38.78 68.3 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.569 -0.707 . . . . 0.0 109.676 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.82 -21.06 55.63 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.098 -1.001 . . . . 0.0 109.686 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.423 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 13.7 tt0 -77.62 -49.08 15.3 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 108.991 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 1.3 mptm? -83.22 4.49 26.61 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 58.82 41.0 22.25 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.357 -0.84 . . . . 0.0 110.173 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 32.6 m-85 59.74 49.59 7.97 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.527 -0.733 . . . . 0.0 109.973 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.422 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 11.0 m -81.54 160.96 63.32 Favored Pre-proline 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.222 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.6 Cg_endo -69.15 -32.62 20.73 Favored 'Trans proline' 0 C--O 1.216 -0.616 0 O-C-N 123.881 1.464 . . . . 0.0 110.915 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 3.7 m -71.19 -45.87 62.49 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.545 -0.722 . . . . 0.0 109.377 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.05 81.14 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.429 -0.794 . . . . 0.0 108.939 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.495 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 17.9 m95 -70.12 -36.71 75.01 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.547 -0.721 . . . . 0.0 109.989 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -64.2 -40.26 95.7 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.375 -0.828 . . . . 0.0 109.404 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.591 HG23 ' HA ' ' A' ' 33' ' ' ARG . 96.1 t -65.46 -42.06 92.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.05 -22.04 22.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 O-C-N 121.706 -0.621 . . . . 0.0 109.374 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.18 60.34 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.136 -0.977 . . . . 0.0 108.697 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.34 73.79 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.872 -0.518 . . . . 0.0 109.66 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.438 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 32.3 mm-40 -69.38 -35.28 75.66 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.649 -0.657 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.8 mm -74.2 -33.03 33.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 121.31 -0.869 . . . . 0.0 109.451 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.3 ttm -70.62 -37.58 73.85 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.469 -0.77 . . . . 0.0 109.018 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -72.19 -47.81 47.9 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.584 -0.697 . . . . 0.0 109.673 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.522 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 60.6 p -61.22 -42.43 98.59 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.69 -0.631 . . . . 0.0 110.176 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.494 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 48.7 t80 -65.49 -39.01 91.42 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.423 -0.798 . . . . 0.0 109.428 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.2 t -67.74 -36.0 79.76 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.488 -0.757 . . . . 0.0 109.39 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' A' ' 150' ' ' SER . 53.1 mt -65.44 -39.62 92.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.532 -0.73 . . . . 0.0 109.811 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 51.4 m -73.0 -30.72 63.99 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.611 -0.681 . . . . 0.0 110.623 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.416 HG23 ' HB3' ' A' ' 11' ' ' SER . 73.5 p -94.38 -7.25 42.18 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.265 -0.897 . . . . 0.0 111.035 -178.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.91 0.91 29.28 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 120.846 -1.159 . . . . 0.0 110.235 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 43' ' ' PHE . 4.6 mm? -61.93 -45.39 93.89 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.293 -0.879 . . . . 0.0 109.46 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -79.25 -23.15 43.89 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.605 -0.684 . . . . 0.0 109.547 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -68.53 -18.86 64.45 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.489 -0.757 . . . . 0.0 110.035 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 25.7 t -100.51 51.39 0.88 Allowed 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.478 -0.764 . . . . 0.0 109.19 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.5 tt -90.69 109.82 20.99 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.291 -0.881 . . . . 0.0 108.769 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -109.0 -20.81 12.9 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.476 -0.765 . . . . 0.0 110.466 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.8 t -57.59 123.78 16.78 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.168 -0.958 . . . . 0.0 109.916 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -111.83 27.66 9.46 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.572 -0.705 . . . . 0.0 109.54 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 CA--C 1.534 0.365 0 O-C-N 121.224 -0.923 . . . . 0.0 109.464 179.684 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.769 0.795 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -109.65 83.29 1.73 Allowed 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 4.6 mm? -59.63 -51.1 83.41 Favored Pre-proline 0 C--O 1.217 -0.623 0 O-C-N 121.786 -0.571 . . . . 0.0 110.679 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 40.7 Cg_endo -68.52 149.75 74.67 Favored 'Trans proline' 0 C--N 1.353 0.797 0 O-C-N 123.413 1.218 . . . . 0.0 110.934 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -110.15 91.0 3.48 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.6 p -94.61 -31.74 13.73 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.556 -0.715 . . . . 0.0 109.904 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -84.87 -176.44 6.21 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.264 -0.897 . . . . 0.0 109.748 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -89.99 178.05 6.31 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.52 -0.738 . . . . 0.0 109.626 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.49 115.61 27.04 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.312 -0.867 . . . . 0.0 109.545 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.18 -17.66 78.86 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.435 ' HB3' ' CG2' ' A' ' 155' ' ' THR . 47.6 m -60.96 -38.73 86.93 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.487 -1.008 . . . . 0.0 109.703 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 24.4 tpt180 -66.88 -35.12 79.29 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.377 -0.827 . . . . 0.0 109.413 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -66.25 -37.23 85.02 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.41 -0.807 . . . . 0.0 108.837 178.386 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.6 m -63.21 -41.31 99.13 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 151' ' ' PHE . 65.0 mt -69.2 -32.66 72.1 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.752 -0.593 . . . . 0.0 109.625 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.9 -36.23 82.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 84' ' ' PHE . 68.0 mt -61.47 -45.92 92.22 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.3 -41.7 76.35 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.872 -0.517 . . . . 0.0 109.847 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.452 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.21 -44.34 95.22 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.601 -0.687 . . . . 0.0 109.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -70.82 -23.08 62.29 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.413 -0.804 . . . . 0.0 110.125 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.512 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 2.0 mtm -74.68 -11.36 60.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 121.265 -0.897 . . . . 0.0 111.172 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -70.46 111.86 6.32 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.624 -1.297 . . . . 0.0 109.496 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HD2' ' O ' ' A' ' 21' ' ' MET . 5.0 mptp? -92.23 -37.31 12.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.603 -0.686 . . . . 0.0 109.327 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.418 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 4.4 pt -108.7 170.8 2.68 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.02 146.66 27.14 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.467 -0.77 . . . . 0.0 108.936 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.01 -31.15 72.23 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.416 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 74.7 m-85 -68.01 -38.06 82.17 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 176.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.5 m -66.21 -28.78 69.01 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.418 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 12.3 m -112.95 56.26 0.68 Allowed 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.549 -0.719 . . . . 0.0 109.896 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 69.7 mt -83.78 3.65 32.52 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 120.871 -1.143 . . . . 0.0 110.413 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -86.95 -12.96 46.03 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.158 -0.964 . . . . 0.0 109.678 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.589 ' HB3' HG22 ' A' ' 142' ' ' VAL . 7.2 t70 -111.02 24.39 12.97 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.366 -0.834 . . . . 0.0 109.932 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 60.9 mtm-85 -67.66 101.28 1.01 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 120.674 -1.266 . . . . 0.0 109.846 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -143.86 118.95 10.07 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.514 -0.741 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -79.45 132.85 36.48 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 80.4 m-85 -86.49 -49.76 7.35 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.02 76.57 1.04 Allowed Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 80.4 t80 -72.91 134.48 81.18 Favored Pre-proline 0 C--O 1.216 -0.677 0 O-C-N 121.468 -1.019 . . . . 0.0 108.826 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 53.2 Cg_endo -81.33 75.82 4.75 Favored 'Trans proline' 0 C--N 1.351 0.675 0 O-C-N 123.648 1.341 . . . . 0.0 110.897 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB2' HD12 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -78.55 -13.06 60.01 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.165 -0.96 . . . . 0.0 109.363 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.08 -28.5 69.12 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -85.46 8.24 19.81 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.748 -0.595 . . . . 0.0 109.788 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' HB3' HD22 ' A' ' 157' ' ' LEU . 57.1 m-85 -131.01 55.01 1.87 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.251 -0.905 . . . . 0.0 108.795 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -147.05 -81.87 0.04 OUTLIER Glycine 0 C--O 1.218 -0.851 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 72.8 m-80 -84.22 158.5 21.25 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.707 -0.878 . . . . 0.0 109.462 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 15.5 pt20 45.1 33.0 0.99 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.431 0.634 . . . . 0.0 110.08 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 24.2 m-85 -148.4 42.5 1.0 Allowed 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.611 -0.681 . . . . 0.0 109.181 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' HB3' ' CD1' ' A' ' 161' ' ' LEU . 88.5 mt-30 -130.68 139.56 50.34 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.24 -0.912 . . . . 0.0 109.888 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 66.15 93.05 0.07 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.239 0.542 . . . . 0.0 110.334 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 54.6 45.55 26.64 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.631 -0.668 . . . . 0.0 110.462 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HB3' ' HA ' ' A' ' 47' ' ' PHE . 56.3 mm-40 -125.9 -47.49 1.66 Allowed 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.312 -0.868 . . . . 0.0 109.577 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.572 ' CG2' ' HB3' ' A' ' 47' ' ' PHE . 16.7 p -89.74 -8.91 51.2 Favored 'General case' 0 C--O 1.206 -1.212 0 O-C-N 121.741 -0.599 . . . . 0.0 110.47 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.569 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 13.4 mt -45.26 -46.61 32.73 Favored Pre-proline 0 N--CA 1.476 0.846 0 O-C-N 121.068 -1.02 . . . . 0.0 111.117 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.7 Cg_endo -67.1 -36.64 21.2 Favored 'Trans proline' 0 C--N 1.354 0.824 0 O-C-N 123.114 1.06 . . . . 0.0 110.646 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.729 ' HA ' HG12 ' A' ' 116' ' ' ILE . 20.9 t -71.25 -39.08 72.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.484 -0.76 . . . . 0.0 109.187 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.579 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 25.9 mt -68.09 -33.68 74.98 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.403 ' CD2' HD22 ' A' ' 92' ' ' LEU . 62.9 t-80 -62.66 -46.43 88.24 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -71.29 -29.68 65.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.517 -0.74 . . . . 0.0 109.309 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.5 tpp -64.66 -36.95 85.93 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.617 ' CG2' ' HG ' ' A' ' 92' ' ' LEU . 4.6 mm -71.1 -33.79 52.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -69.43 -35.56 75.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.561 -0.712 . . . . 0.0 109.579 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -71.59 -40.27 69.98 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.442 -0.786 . . . . 0.0 109.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 67' ' ' PHE . 78.0 mt -76.6 -27.31 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.006 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 68' ' ' SER . 41.3 t80 -68.08 -43.03 79.5 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.232 -0.918 . . . . 0.0 109.22 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -80.28 -38.51 30.67 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.635 -0.665 . . . . 0.0 109.895 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.63 -31.07 69.17 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.491 -0.756 . . . . 0.0 109.417 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 63' ' ' ILE . 8.0 m-85 -95.8 -27.85 15.03 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.578 -0.701 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.2 t -72.59 -18.97 61.56 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.336 -0.853 . . . . 0.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.2 p -54.65 151.75 7.76 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.21 -0.931 . . . . 0.0 109.967 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.39 -21.55 66.35 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 109.721 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -77.27 -43.98 31.43 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.33 -0.856 . . . . 0.0 109.687 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.511 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.4 t -78.27 -29.61 48.09 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.506 -0.746 . . . . 0.0 109.969 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.503 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 92.5 p -65.4 -37.97 88.57 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.465 -0.772 . . . . 0.0 109.22 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.34 -21.49 35.97 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.97 67.94 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.121 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.549 ' HB2' HD13 ' A' ' 81' ' ' LEU . 68.5 m95 -119.03 172.68 7.38 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.657 -0.652 . . . . 0.0 109.671 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.66 137.63 52.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.344 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -66.99 -27.8 67.73 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.661 -0.649 . . . . 0.0 110.176 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.1 m -78.0 -45.19 24.43 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.183 -0.948 . . . . 0.0 108.872 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.57 -38.09 89.81 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 76' ' ' TRP . 10.7 mt -70.77 -33.26 70.59 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.82 -52.56 63.57 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -67.03 -30.57 70.69 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.544 ' HA ' HD11 ' A' ' 17' ' ' LEU . 20.9 t80 -66.66 -29.65 69.72 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.559 -0.713 . . . . 0.0 109.322 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.9 -33.66 51.77 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.267 -0.895 . . . . 0.0 108.909 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.8 m -69.71 -35.41 75.03 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.451 ' HG3' HD12 ' A' ' 17' ' ' LEU . 29.7 mm-40 -74.24 -32.8 63.12 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.455 -0.778 . . . . 0.0 109.291 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.524 ' CD2' HG21 ' A' ' 60' ' ' ILE . 46.8 mt -70.36 -40.38 74.06 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.489 -0.757 . . . . 0.0 109.173 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.522 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.6 t80 -76.09 -29.39 57.9 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.223 -0.923 . . . . 0.0 109.671 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -67.48 -47.87 68.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -66.78 -28.55 68.48 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.617 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 11.0 mt -71.77 -31.29 66.48 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.465 -0.772 . . . . 0.0 109.508 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -72.32 -42.1 65.82 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.449 -0.782 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -69.77 -45.74 67.36 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.395 -0.815 . . . . 0.0 109.059 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.7 mt -63.52 -36.06 82.53 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.936 -0.478 . . . . 0.0 110.211 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.511 ' O ' HG12 ' A' ' 100' ' ' ILE . 5.3 tp10 -74.97 -39.86 61.06 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.522 -0.737 . . . . 0.0 110.188 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.83 -45.19 49.98 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.806 -0.559 . . . . 0.0 110.281 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.404 ' HB3' HG13 ' A' ' 103' ' ' VAL . 74.5 m -64.8 -44.05 91.2 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.449 -0.782 . . . . 0.0 109.264 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.93 -30.78 49.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 O-C-N 121.882 -0.511 . . . . 0.0 109.973 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 96' ' ' GLU . 39.8 mm -57.94 -52.07 62.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.606 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -78.73 -173.52 3.49 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.76 -18.75 57.36 Favored Glycine 0 CA--C 1.541 1.657 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 98' ' ' CYS . 10.3 t -62.25 152.98 6.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.211 -1.17 . . . . 0.0 109.311 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.87 -111.47 1.47 Allowed Glycine 0 CA--C 1.533 1.176 0 C-N-CA 120.062 -1.066 . . . . 0.0 110.491 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.418 ' HB ' ' HG2' ' A' ' 112' ' ' LYS . 27.0 m -109.0 169.16 3.41 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 O-C-N 121.521 -0.988 . . . . 0.0 110.129 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.2 p -103.78 -172.37 2.1 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -117.27 -23.68 7.75 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.018 -1.051 . . . . 0.0 110.698 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.7 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 51.1 m -73.19 -59.69 2.02 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 121.039 -1.038 . . . . 0.0 111.032 -177.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.7 ' HD3' ' HB ' ' A' ' 108' ' ' THR . 53.2 Cg_endo -76.28 158.01 37.29 Favored 'Trans proline' 0 C--N 1.352 0.763 0 O-C-N 123.29 1.153 . . . . 0.0 111.938 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 26.5 tp -86.15 -6.54 58.98 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -56.75 -8.22 0.55 Allowed 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.361 -0.837 . . . . 0.0 111.48 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HG2' ' HB ' ' A' ' 105' ' ' VAL . 56.6 mtpt -45.44 -56.3 5.17 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.319 -0.863 . . . . 0.0 109.885 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -120.83 24.76 10.07 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.613 -0.68 . . . . 0.0 110.413 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -34.29 51.16 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 120.891 -1.13 . . . . 0.0 108.771 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.685 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 23.2 t -73.43 -39.24 65.17 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.729 HG12 ' HA ' ' A' ' 55' ' ' VAL . 70.2 mt -64.36 -34.28 68.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.19 -35.56 81.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.16 -44.36 76.16 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.85 -23.66 31.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.78 -46.55 62.68 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.43 64.45 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.489 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 54.5 t80 -68.76 -49.69 56.62 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.467 -0.771 . . . . 0.0 109.061 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -70.25 -26.86 64.03 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.794 -0.566 . . . . 0.0 109.961 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -63.87 -42.23 97.56 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.4 -39.67 94.3 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.573 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 61.7 mt -62.97 -36.88 77.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.593 -0.692 . . . . 0.0 109.586 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.4 m -68.44 -41.28 80.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.432 -0.793 . . . . 0.0 109.967 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.96 -34.15 73.02 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.418 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 22.0 t80 -65.22 -42.25 93.63 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.44 -0.788 . . . . 0.0 108.893 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 27.6 mt -63.31 -35.56 80.77 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -34.87 77.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.41 -0.806 . . . . 0.0 109.359 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.59 -52.9 48.63 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.623 -0.673 . . . . 0.0 109.736 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 136' ' ' SER . 14.5 mptt -79.3 1.47 24.89 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.765 -0.584 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 56.53 46.31 20.77 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.393 -0.817 . . . . 0.0 109.799 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 58.38 52.79 6.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.766 -0.584 . . . . 0.0 110.412 178.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.48 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.0 m -80.43 162.82 59.63 Favored Pre-proline 0 C--O 1.217 -0.644 0 O-C-N 121.309 -0.87 . . . . 0.0 109.378 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -69.86 -41.74 3.89 Favored 'Trans proline' 0 C--N 1.351 0.668 0 O-C-N 123.802 1.422 . . . . 0.0 111.114 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.79 -42.11 91.14 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.613 -0.679 . . . . 0.0 109.346 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.02 85.39 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.561 -0.712 . . . . 0.0 109.625 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 10.2 m95 -66.49 -34.8 78.74 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.518 -0.739 . . . . 0.0 110.429 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.18 -37.93 66.35 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.589 HG22 ' HB3' ' A' ' 32' ' ' ASP . 48.4 t -60.78 -38.64 79.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 147' ' ' ILE . 59.8 t -73.6 -30.06 28.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.452 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 3.0 tmt_? -60.71 -52.09 66.59 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.132 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.01 85.96 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.411 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 4.8 mm-40 -70.42 -29.28 65.85 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.775 -0.578 . . . . 0.0 110.379 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.5 mm -77.2 -30.95 17.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 O-C-N 121.306 -0.872 . . . . 0.0 109.102 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.463 ' HG3' HD21 ' A' ' 15' ' ' LEU . 23.7 ttm -73.83 -39.56 63.95 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.482 -0.761 . . . . 0.0 109.056 178.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 149' ' ' ARG . 12.8 mmt180 -72.71 -40.69 65.96 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 121.511 -0.743 . . . . 0.0 109.624 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.583 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.0 p -66.75 -38.49 86.73 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.439 -0.788 . . . . 0.0 109.628 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.49 ' HB3' HD23 ' A' ' 15' ' ' LEU . 56.4 t80 -72.29 -40.38 67.6 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.499 -0.751 . . . . 0.0 109.552 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 92.1 p -65.84 -34.56 78.44 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.276 -0.89 . . . . 0.0 108.691 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.427 HD12 ' HB2' ' A' ' 40' ' ' GLN . 68.6 mt -68.58 -37.15 79.62 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.694 -0.629 . . . . 0.0 109.454 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.579 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 28.2 p -66.45 -36.6 83.19 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.476 -0.765 . . . . 0.0 109.409 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.435 ' CG2' ' HB3' ' A' ' 11' ' ' SER . 18.2 p -97.12 1.29 49.77 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.847 -0.533 . . . . 0.0 110.54 -176.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.23 -4.65 43.01 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.156 -0.965 . . . . 0.0 110.52 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 43' ' ' PHE . 4.2 mm? -64.52 -35.99 82.74 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 120.991 -1.068 . . . . 0.0 109.042 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -80.87 -41.87 22.43 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.574 -0.704 . . . . 0.0 109.213 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.67 -23.65 65.34 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.59 -0.694 . . . . 0.0 110.158 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.1 m -119.03 40.03 3.4 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.556 -0.715 . . . . 0.0 109.197 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 48' ' ' GLN . 48.4 tp -77.02 -56.51 4.52 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.082 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -137.17 52.94 1.9 Allowed 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 68.8 p -131.91 49.08 2.35 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.337 -0.852 . . . . 0.0 109.603 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 164' ' ' LYS . 56.3 tptt -147.72 85.82 1.57 Allowed 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.201 -0.937 . . . . 0.0 109.095 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.361 -179.659 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 2' ' ' ASP . 39.6 t . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 121.583 0.706 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.559 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.5 OUTLIER -76.86 72.71 3.47 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-O 121.687 0.756 . . . . 0.0 109.58 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.609 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -70.89 -57.08 5.3 Favored Pre-proline 0 C--O 1.216 -0.699 0 O-C-N 121.319 -0.863 . . . . 0.0 109.014 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.609 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 47.3 Cg_endo -74.54 159.06 43.38 Favored 'Trans proline' 0 C--N 1.353 0.813 0 O-C-N 123.817 1.43 . . . . 0.0 110.615 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -143.23 66.31 1.31 Allowed 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.334 -0.854 . . . . 0.0 109.701 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 p -123.13 -59.5 1.57 Allowed 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.375 -0.828 . . . . 0.0 109.003 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -93.99 170.38 9.59 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.527 -0.733 . . . . 0.0 109.112 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.4 t -152.15 132.86 14.01 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -147.15 18.6 1.23 Allowed 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.658 -0.651 . . . . 0.0 110.438 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.09 -71.83 0.65 Allowed Glycine 0 C--O 1.215 -1.048 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -64.68 -42.63 95.22 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.797 -0.825 . . . . 0.0 110.196 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -62.5 -39.76 94.54 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 49.7 mmm-85 -69.47 -33.69 73.28 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.691 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -63.23 -43.32 98.41 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.42 -0.8 . . . . 0.0 108.98 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD21 ' HG3' ' A' ' 148' ' ' MET . 98.1 mt -68.38 -30.92 69.97 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.7 ttp -65.49 -36.89 85.2 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' HG3' ' A' ' 87' ' ' GLU . 81.6 mt -62.85 -44.4 96.23 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.4 mt -59.29 -40.78 87.23 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.822 -0.549 . . . . 0.0 109.712 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.21 97.37 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.475 -0.766 . . . . 0.0 109.743 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.84 -33.08 73.22 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.439 -0.788 . . . . 0.0 109.957 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.479 ' HE2' ' CD2' ' A' ' 67' ' ' PHE . 21.6 mtp -66.19 -23.43 66.45 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.434 -0.791 . . . . 0.0 110.963 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -49.68 128.0 16.98 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 2.4 mtmp? -109.35 -28.44 8.96 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.856 -0.527 . . . . 0.0 109.882 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 137' ' ' PRO . 2.4 pt -129.42 171.7 16.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 121.467 -0.771 . . . . 0.0 109.929 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -86.18 137.63 32.5 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.554 -0.717 . . . . 0.0 109.077 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.84 -32.92 74.84 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.636 -0.665 . . . . 0.0 109.378 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -63.28 -37.73 88.38 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.8 m -65.86 -29.46 69.91 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.415 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 67.2 m -105.15 47.39 0.88 Allowed 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.451 -0.781 . . . . 0.0 110.301 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 mt -85.13 -2.4 57.97 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.152 -0.967 . . . . 0.0 110.031 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -81.83 -30.67 32.04 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.416 -0.802 . . . . 0.0 108.982 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -108.14 23.08 15.04 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.614 -0.678 . . . . 0.0 109.93 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HA ' HG23 ' A' ' 142' ' ' VAL . 40.0 ttt-85 -82.82 114.63 21.27 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.952 -1.092 . . . . 0.0 109.207 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -145.13 127.47 15.86 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -74.1 136.19 42.97 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.324 -0.86 . . . . 0.0 109.182 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 59.8 m-85 -87.11 -41.66 13.63 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.559 -0.713 . . . . 0.0 109.771 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.17 71.15 0.62 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 89.9 t80 -67.23 132.76 93.4 Favored Pre-proline 0 C--O 1.217 -0.625 0 O-C-N 121.54 -0.977 . . . . 0.0 108.932 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.3 Cg_endo -81.88 68.28 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 O-C-N 123.653 1.343 . . . . 0.0 111.291 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 5.2 tp60 -73.11 -20.02 61.03 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.233 -0.917 . . . . 0.0 108.796 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.54 -30.03 69.5 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.286 -0.884 . . . . 0.0 108.856 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -88.89 11.21 18.65 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.548 -0.72 . . . . 0.0 109.439 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.495 ' HB3' HD22 ' A' ' 157' ' ' LEU . 12.4 m-85 -124.3 15.33 9.01 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.416 -0.802 . . . . 0.0 109.109 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.65 -91.77 1.68 Allowed Glycine 0 C--O 1.218 -0.883 0 O-C-N 120.88 -1.137 . . . . 0.0 110.41 -178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -89.56 165.18 14.43 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.74 -0.859 . . . . 0.0 109.858 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 67.44 14.57 9.67 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.762 -0.586 . . . . 0.0 109.529 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.591 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 85.2 m-85 -147.23 43.81 1.13 Allowed 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 72.2 tp60 -119.21 149.44 41.75 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.438 -0.789 . . . . 0.0 109.563 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 59.5 mttp 77.35 65.45 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.412 0.625 . . . . 0.0 109.754 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.556 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . . . 56.72 36.5 27.75 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.694 -0.629 . . . . 0.0 110.858 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HA ' HG13 ' A' ' 105' ' ' VAL . 94.0 mt-10 -102.83 -23.77 13.75 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.042 -1.036 . . . . 0.0 109.768 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.591 ' CG2' ' HB3' ' A' ' 47' ' ' PHE . 2.3 p -84.0 -15.0 49.27 Favored 'General case' 0 C--O 1.211 -0.973 0 O-C-N 121.749 -0.594 . . . . 0.0 109.906 178.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.567 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 58.7 mt -45.42 -46.17 33.6 Favored Pre-proline 0 C--O 1.213 -0.846 0 O-C-N 121.479 -0.763 . . . . 0.0 111.68 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.0 Cg_endo -65.27 -39.37 23.16 Favored 'Trans proline' 0 C--N 1.355 0.918 0 O-C-N 123.017 1.009 . . . . 0.0 110.985 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.696 ' HA ' HG12 ' A' ' 116' ' ' ILE . 16.1 t -69.78 -37.76 74.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.587 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 20.3 mt -65.55 -34.54 78.49 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -60.18 -46.54 89.37 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' CD ' HG21 ' A' ' 116' ' ' ILE . 3.8 tm-20 -69.28 -30.62 68.76 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.461 -0.775 . . . . 0.0 109.07 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 tpp -63.2 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.465 -0.772 . . . . 0.0 109.126 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.585 HG21 ' CD2' ' A' ' 88' ' ' LEU . 8.0 mm -73.8 -30.31 28.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 O-C-N 121.321 -0.862 . . . . 0.0 109.227 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -73.12 -32.07 64.7 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.469 -0.769 . . . . 0.0 109.447 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 123' ' ' PHE . 4.0 mm100 -76.02 -40.54 53.34 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.376 -0.827 . . . . 0.0 109.678 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.504 HG22 ' CE1' ' A' ' 67' ' ' PHE . 83.8 mt -75.24 -29.61 21.8 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 121.316 -0.865 . . . . 0.0 108.779 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 88' ' ' LEU . 28.8 t80 -65.22 -44.59 87.81 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.311 -0.868 . . . . 0.0 109.365 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -79.87 -38.75 32.02 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.469 -0.77 . . . . 0.0 110.053 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.2 -31.34 68.94 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.394 -0.816 . . . . 0.0 109.379 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.504 ' CE1' HG22 ' A' ' 63' ' ' ILE . 10.2 m-85 -95.62 -27.09 15.49 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.574 -0.704 . . . . 0.0 109.945 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -75.18 -22.59 57.93 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.282 -0.886 . . . . 0.0 110.39 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.4 p -51.38 148.87 4.54 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.394 -0.817 . . . . 0.0 110.263 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.56 -26.69 67.1 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.597 -0.689 . . . . 0.0 109.805 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.4 p30 -74.81 -32.59 62.03 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 20.8 t -90.76 -29.44 17.64 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.298 -0.876 . . . . 0.0 109.752 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 38.3 t -66.87 -37.03 83.66 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.76 34.69 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.08 86.08 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.568 -0.707 . . . . 0.0 109.805 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.462 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 82.4 m95 -107.77 171.99 7.08 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.359 0.599 . . . . 0.0 109.767 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -68.4 130.84 44.06 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.3 pp20? -63.33 -26.9 68.98 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.404 -0.81 . . . . 0.0 110.482 -178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.8 m -77.93 -45.01 25.18 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.059 -1.025 . . . . 0.0 108.869 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.19 -38.41 91.05 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.8 mt -71.41 -33.14 69.19 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 8.9 t70 -55.56 -48.51 74.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.71 -33.42 74.86 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.445 ' HD1' HD11 ' A' ' 17' ' ' LEU . 25.3 t80 -67.18 -27.54 67.36 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.658 -0.651 . . . . 0.0 109.694 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -78.41 -43.83 26.43 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.125 -0.984 . . . . 0.0 109.156 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.2 m -64.3 -37.74 88.55 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.8 -0.563 . . . . 0.0 109.565 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.54 ' HG3' HD13 ' A' ' 17' ' ' LEU . 48.0 mm-40 -72.22 -36.83 69.25 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 121.484 -0.76 . . . . 0.0 109.41 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.585 ' CD2' HG21 ' A' ' 60' ' ' ILE . 47.3 mt -66.23 -37.03 84.57 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.55 -0.719 . . . . 0.0 109.766 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.29 -39.52 59.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.342 -0.849 . . . . 0.0 109.993 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.78 -48.4 69.13 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.364 -0.835 . . . . 0.0 109.563 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.64 -28.25 69.49 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.504 -0.748 . . . . 0.0 109.066 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.536 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 2.0 mt -67.14 -43.77 81.49 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.406 -0.809 . . . . 0.0 108.975 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -60.78 -36.82 79.95 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -66.96 -41.23 87.26 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.558 -0.714 . . . . 0.0 109.274 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.449 HD21 HG21 ' A' ' 53' ' ' ILE . 49.9 mt -63.04 -47.94 80.86 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.737 -0.602 . . . . 0.0 110.264 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' O ' HG13 ' A' ' 100' ' ' ILE . 26.7 pt-20 -70.66 -26.66 63.55 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.392 -0.817 . . . . 0.0 110.299 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.9 79.19 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.304 -0.872 . . . . 0.0 109.09 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.52 ' HA ' HG22 ' A' ' 103' ' ' VAL . 85.2 m -61.74 -45.97 91.62 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.26 -41.18 86.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 O-C-N 121.899 -0.501 . . . . 0.0 110.055 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 96' ' ' GLU . 85.3 mt -65.27 -54.02 33.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 O-C-N 121.356 -0.84 . . . . 0.0 110.004 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -71.11 172.81 8.5 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.74 -0.6 . . . . 0.0 110.013 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.65 -21.19 64.73 Favored Glycine 0 CA--C 1.536 1.388 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 98' ' ' CYS . 35.9 m -64.59 177.68 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 O-C-N 121.314 -1.109 . . . . 0.0 109.959 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.556 ' HA2' ' HB3' ' A' ' 50' ' ' ALA . . . 82.27 -137.72 17.43 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.52 HG13 ' HA ' ' A' ' 51' ' ' GLU . 13.8 p -159.07 144.91 7.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 O-C-N 121.498 -1.001 . . . . 0.0 109.464 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -168.66 148.48 4.42 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 121.873 0.844 . . . . 0.0 110.38 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -158.17 -65.48 0.09 Allowed 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.0 t -169.91 135.79 1.29 Allowed Pre-proline 0 C--O 1.218 -0.598 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -72.18 94.1 0.74 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 O-C-N 123.551 1.29 . . . . 0.0 111.868 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -122.65 -64.18 1.21 Allowed 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 ptm -114.47 12.7 17.46 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -68.61 -31.3 70.36 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.268 -0.895 . . . . 0.0 109.65 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.4 10.81 11.74 Favored 'General case' 0 C--O 1.211 -0.951 0 O-C-N 121.359 -0.838 . . . . 0.0 110.308 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -79.24 -43.98 22.68 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 120.741 -1.225 . . . . 0.0 108.898 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.492 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 19.5 t -66.54 -40.03 88.86 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.696 HG12 ' HA ' ' A' ' 55' ' ' VAL . 53.2 mt -68.72 -31.22 49.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.414 HD22 ' HD3' ' A' ' 120' ' ' ARG . 6.2 mt -68.23 -33.78 75.02 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.85 -48.69 73.4 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.76 -30.85 51.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.414 ' HD3' HD22 ' A' ' 117' ' ' LEU . 72.5 ttt180 -68.1 -40.23 82.66 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.246 -0.909 . . . . 0.0 109.697 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -68.47 -35.99 78.34 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.408 -0.808 . . . . 0.0 108.925 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 83.0 t80 -63.85 -47.24 81.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 62' ' ' GLN . 13.1 m-85 -70.46 -26.01 63.44 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.754 -0.591 . . . . 0.0 110.107 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -64.28 -41.34 96.95 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -67.63 -38.36 83.76 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 122' ' ' TYR . 57.8 mt -62.27 -38.04 80.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.525 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.1 m -67.32 -41.28 85.56 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.405 -0.809 . . . . 0.0 109.666 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.482 HD12 ' HE3' ' A' ' 131' ' ' LYS . 4.2 mm? -67.95 -36.21 79.72 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.425 -0.797 . . . . 0.0 109.579 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -63.24 -38.86 92.83 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.498 -0.751 . . . . 0.0 109.342 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 135' ' ' TYR . 64.0 mt -67.28 -42.43 83.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.759 -0.588 . . . . 0.0 109.478 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.482 ' HE3' HD12 ' A' ' 128' ' ' LEU . 56.0 mtmt -70.57 -24.02 62.7 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.802 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.01 -49.17 25.57 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.4 mptt -80.67 1.86 28.28 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.574 -0.704 . . . . 0.0 109.796 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp 60.73 40.02 16.71 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.384 -0.823 . . . . 0.0 109.924 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 130' ' ' LEU . 67.2 m-85 58.83 51.66 7.29 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.703 -0.623 . . . . 0.0 110.43 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.452 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 38.2 m -79.21 160.6 70.4 Favored Pre-proline 0 C--O 1.217 -0.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.254 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.8 -36.15 14.4 Favored 'Trans proline' 0 C--N 1.35 0.638 0 O-C-N 123.744 1.392 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.42 -41.99 75.61 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.475 -0.766 . . . . 0.0 109.145 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.45 83.85 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.583 -0.698 . . . . 0.0 109.63 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.457 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.0 m95 -68.95 -39.3 79.6 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 110.055 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.7 -36.53 82.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 109.145 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.566 HG23 ' HA ' ' A' ' 33' ' ' ARG . 55.4 t -62.67 -42.82 97.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.36 -24.2 21.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 121.722 -0.611 . . . . 0.0 109.763 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.464 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 0.2 OUTLIER -69.99 -47.01 63.92 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.091 -1.006 . . . . 0.0 108.888 179.405 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.11 79.74 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.445 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 56.5 mm-40 -66.52 -37.16 84.42 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.635 -0.665 . . . . 0.0 109.409 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 mm -69.42 -36.95 74.15 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.531 ' HG3' HD21 ' A' ' 15' ' ' LEU . 25.7 ttm -63.89 -49.68 71.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.503 -0.748 . . . . 0.0 109.882 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.61 -44.4 90.69 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.686 -0.634 . . . . 0.0 110.21 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.513 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 64.8 m -65.37 -30.83 71.7 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.558 ' HE1' ' CD1' ' A' ' 60' ' ' ILE . 34.2 t80 -71.64 -42.57 67.41 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.567 -0.708 . . . . 0.0 109.579 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.8 t -65.96 -35.88 81.8 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.538 -0.726 . . . . 0.0 109.234 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 62.7 mt -65.62 -48.49 72.05 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.646 -0.659 . . . . 0.0 110.046 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 12.4 m -63.86 -45.21 90.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.615 -0.678 . . . . 0.0 110.147 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.482 HG22 ' CE2' ' A' ' 151' ' ' PHE . 67.8 p -78.12 -7.97 57.66 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.447 -0.783 . . . . 0.0 110.875 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -64.52 -17.56 64.01 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.892 -1.13 . . . . 0.0 110.484 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.534 ' HG ' ' CG2' ' A' ' 52' ' ' THR . 4.1 mm? -66.26 -26.51 67.38 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 120.984 -1.072 . . . . 0.0 110.211 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -52.86 -48.5 67.04 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.289 -0.882 . . . . 0.0 109.03 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -145.77 113.48 6.39 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.45 ' HB2' HD13 ' A' ' 161' ' ' LEU . 31.4 p -105.62 -79.32 0.56 Allowed 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.868 -0.52 . . . . 0.0 110.487 -177.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 160' ' ' SER . 4.4 mp -135.65 -172.12 3.01 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.12 -0.987 . . . . 0.0 110.223 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -107.47 58.75 0.62 Allowed 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 121.519 0.676 . . . . 0.0 109.319 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 81.5 p -67.56 157.52 34.19 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.287 -0.883 . . . . 0.0 109.923 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -95.03 62.68 2.6 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 118.375 -0.821 . . . . 0.0 109.227 -179.642 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.652 ' HB2' HG22 ' A' ' 103' ' ' VAL . 22.2 p . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.319 0.58 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -147.52 65.12 1.13 Allowed 'General case' 0 C--O 1.22 -0.473 0 O-C-N 121.504 -0.748 . . . . 0.0 109.508 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.747 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 1.1 mm? -93.94 -54.11 0.24 Allowed Pre-proline 0 C--O 1.217 -0.645 0 O-C-N 121.431 -0.793 . . . . 0.0 109.193 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.747 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 54.0 Cg_endo -89.42 170.23 4.7 Favored 'Trans proline' 0 C--N 1.358 1.038 0 O-C-N 123.352 1.185 . . . . 0.0 110.391 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -153.14 66.09 0.78 Allowed 'General case' 0 C--O 1.219 -0.547 0 O-C-N 121.335 -0.853 . . . . 0.0 109.536 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 p -136.99 -86.42 0.31 Allowed 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.429 -0.795 . . . . 0.0 109.282 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -109.16 157.57 18.64 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.351 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.7 p -171.95 102.48 0.18 Allowed 'General case' 0 C--O 1.219 -0.526 0 O-C-N 121.523 -0.735 . . . . 0.0 109.839 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -172.1 84.29 0.07 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.596 -0.69 . . . . 0.0 109.24 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.464 ' HA3' ' HG2' ' A' ' 91' ' ' GLN . . . -111.15 -52.33 0.57 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.501 ' HB3' HG22 ' A' ' 155' ' ' THR . 66.0 m -56.18 -36.73 68.7 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.776 -0.838 . . . . 0.0 110.711 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -48.03 77.91 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.373 -0.829 . . . . 0.0 110.07 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.18 -30.19 66.11 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.303 -0.873 . . . . 0.0 110.061 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.534 ' CG2' ' HE1' ' A' ' 84' ' ' PHE . 88.8 m -61.58 -43.56 98.64 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.208 -0.933 . . . . 0.0 109.154 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HG ' ' HD2' ' A' ' 151' ' ' PHE . 34.4 mt -70.98 -32.2 68.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 ttp -63.59 -35.39 80.36 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD11 ' HD1' ' A' ' 84' ' ' PHE . 45.6 mt -63.67 -46.66 84.59 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.5 mt -57.48 -35.33 70.05 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.869 -0.519 . . . . 0.0 109.78 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.85 88.18 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.826 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.17 -34.91 73.58 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.477 -0.764 . . . . 0.0 109.832 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.461 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 16.0 mtm -66.1 -27.86 68.38 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.417 -0.802 . . . . 0.0 110.097 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -47.48 122.69 4.95 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.576 -0.703 . . . . 0.0 109.919 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 11.9 mtpt -106.69 -33.18 7.69 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.448 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -128.43 171.41 16.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.648 -0.657 . . . . 0.0 110.055 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -92.56 151.85 19.93 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.673 -0.642 . . . . 0.0 109.588 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.43 -31.69 72.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -68.04 -38.4 82.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.456 -0.778 . . . . 0.0 109.093 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.5 m -66.91 -29.14 68.95 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.487 -0.758 . . . . 0.0 109.12 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 32.0 m -108.88 51.2 0.75 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.56 -0.713 . . . . 0.0 110.057 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.7 mt -82.0 -0.91 46.33 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.119 -0.988 . . . . 0.0 110.231 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.43 -27.13 34.84 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.282 -0.886 . . . . 0.0 109.063 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.0 21.19 16.84 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 109.434 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HA ' HG23 ' A' ' 142' ' ' VAL . 26.9 tpt180 -78.2 123.12 26.55 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.117 -0.989 . . . . 0.0 110.075 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 123.12 5.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.8 121.08 16.55 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.433 -0.792 . . . . 0.0 109.471 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.515 ' HE2' ' HB2' ' A' ' 129' ' ' TYR . 77.3 m-85 -75.93 -52.6 9.94 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.649 -0.657 . . . . 0.0 109.498 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.88 66.3 0.34 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.499 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 68.9 t80 -66.29 127.67 93.4 Favored Pre-proline 0 C--O 1.215 -0.717 0 O-C-N 121.519 -0.989 . . . . 0.0 108.782 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 54.3 Cg_endo -79.58 71.53 6.99 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.748 1.394 . . . . 0.0 111.108 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -75.06 -15.29 60.63 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.304 -0.872 . . . . 0.0 109.308 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.59 -31.32 69.35 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.289 -0.882 . . . . 0.0 108.793 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 2.4 tp10 -93.29 24.14 4.04 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.488 -0.758 . . . . 0.0 109.352 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 26.6 m-85 -136.89 23.5 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.181 -0.95 . . . . 0.0 109.59 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.73 -96.01 2.09 Favored Glycine 0 C--O 1.217 -0.939 0 O-C-N 120.825 -1.172 . . . . 0.0 110.562 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -73.82 143.49 45.91 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.853 -0.792 . . . . 0.0 109.24 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 60.1 28.5 18.06 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.542 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 38.2 m-85 -147.88 55.84 1.07 Allowed 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.492 -0.755 . . . . 0.0 109.015 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -74.74 -179.08 3.95 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.367 -0.833 . . . . 0.0 109.532 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 158' ' ' GLN . 25.4 mtpt -70.6 -12.8 61.79 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.146 -0.971 . . . . 0.0 110.725 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.79 2.92 33.43 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.306 -0.871 . . . . 0.0 109.55 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -116.27 -33.35 5.01 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.359 -0.838 . . . . 0.0 109.826 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 47' ' ' PHE . 38.2 p -84.94 2.57 42.24 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 121.53 -0.731 . . . . 0.0 110.098 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.583 HD11 ' CB ' ' A' ' 98' ' ' CYS . 76.9 mt -47.78 -48.39 60.68 Favored Pre-proline 0 C--O 1.216 -0.684 0 O-C-N 121.364 -0.835 . . . . 0.0 111.22 -178.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -65.24 -35.52 40.59 Favored 'Trans proline' 0 C--N 1.353 0.801 0 O-C-N 123.247 1.13 . . . . 0.0 110.696 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.719 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.9 t -69.96 -38.57 75.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.588 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 86.1 mt -69.26 -29.85 67.84 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -67.48 -45.33 76.21 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.458 -0.776 . . . . 0.0 109.122 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' HG22 ' A' ' 116' ' ' ILE . 1.1 tm-20 -74.45 -29.8 61.61 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.193 -0.942 . . . . 0.0 109.73 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -66.4 -45.93 78.31 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.277 -0.889 . . . . 0.0 109.159 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' A' ' 88' ' ' LEU . 26.9 mt -71.01 -24.22 24.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 121.616 -0.677 . . . . 0.0 109.325 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -72.87 -35.14 67.11 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.08 -39.28 75.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.715 -0.616 . . . . 0.0 109.461 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 67' ' ' PHE . 73.5 mt -71.67 -34.34 51.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.438 ' CZ ' ' CE2' ' A' ' 89' ' ' TYR . 46.1 t80 -59.71 -44.07 93.85 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.464 -0.773 . . . . 0.0 109.581 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -79.71 -38.89 32.42 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.586 -0.697 . . . . 0.0 109.94 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.1 tp -57.43 -32.33 66.79 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.469 -0.769 . . . . 0.0 109.803 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 63' ' ' ILE . 25.4 m-85 -96.23 -29.62 13.92 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 109.806 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.2 t -68.39 -20.81 64.7 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.357 -0.839 . . . . 0.0 110.259 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 p -55.31 149.95 12.11 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.934 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 48.0 mmtm -64.31 -21.9 66.77 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.56 -0.713 . . . . 0.0 110.241 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 0.8 OUTLIER -76.2 -37.66 57.5 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.685 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.48 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 29.5 t -82.08 -30.7 31.14 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.217 -0.927 . . . . 0.0 109.838 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.538 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 98.6 p -66.45 -37.74 85.81 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.523 -0.736 . . . . 0.0 109.241 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -20.48 43.96 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.56 -32.97 62.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CE3' ' HD2' ' A' ' 23' ' ' LYS . 80.5 m95 -117.82 174.34 6.24 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.562 -0.711 . . . . 0.0 109.929 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.34 133.76 48.24 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -65.56 -29.09 69.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.475 -0.765 . . . . 0.0 110.522 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.9 m -78.43 -42.46 29.98 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.461 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 96.4 mt -64.74 -37.48 87.75 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.538 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.23 -33.21 69.67 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.65 -49.15 75.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.93 -33.61 76.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.575 ' HD1' HD11 ' A' ' 17' ' ' LEU . 7.6 t80 -66.44 -30.71 71.13 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.725 -0.609 . . . . 0.0 109.68 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -74.89 -41.47 59.7 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.196 -0.94 . . . . 0.0 109.25 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.7 m -65.8 -38.47 89.06 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.621 -0.674 . . . . 0.0 109.516 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' HG3' HD13 ' A' ' 17' ' ' LEU . 63.2 mm-40 -74.46 -30.5 61.89 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.454 -0.778 . . . . 0.0 109.682 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' A' ' 60' ' ' ILE . 48.4 mt -69.92 -35.33 74.48 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CE2' ' CZ ' ' A' ' 64' ' ' PHE . 2.2 m-85 -72.27 -38.17 68.87 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.7 -0.625 . . . . 0.0 109.919 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -71.65 -39.56 70.26 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.317 -0.865 . . . . 0.0 109.683 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.464 ' HG2' ' HA3' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -65.92 -36.22 82.78 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.23 -50.6 67.37 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -54.87 -43.27 73.0 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.941 -0.474 . . . . 0.0 109.929 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.41 -46.97 86.16 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.35 -0.844 . . . . 0.0 108.781 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.54 -27.89 68.01 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 109.977 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.486 ' O ' HG13 ' A' ' 100' ' ' ILE . 86.2 tt0 -79.13 -35.86 41.49 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 121.349 -0.844 . . . . 0.0 109.936 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.0 -44.8 64.28 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.599 -0.688 . . . . 0.0 109.799 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.583 ' CB ' HD11 ' A' ' 53' ' ' ILE . 90.5 m -61.15 -46.34 90.94 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.0 -31.74 50.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.866 -0.521 . . . . 0.0 110.505 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 96' ' ' GLU . 71.5 mt -57.49 -53.67 41.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 121.225 -0.922 . . . . 0.0 109.821 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.97 175.06 8.81 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.707 -0.621 . . . . 0.0 109.96 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.57 -34.49 86.2 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 1' ' ' CYS . 3.1 m -53.1 158.71 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 O-C-N 121.762 -0.846 . . . . 0.0 110.158 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.74 -61.28 2.37 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -111.92 176.31 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 O-C-N 121.769 -0.842 . . . . 0.0 109.415 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.6 t -169.79 -160.01 0.23 Allowed 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.28 -0.888 . . . . 0.0 109.59 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 108' ' ' THR . 97.0 mt-10 -57.62 -21.05 37.17 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.5 -0.75 . . . . 0.0 110.99 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 107' ' ' GLU . 9.2 t -36.68 136.88 0.56 Allowed Pre-proline 0 N--CA 1.473 0.716 0 O-C-N 121.813 -0.554 . . . . 0.0 111.245 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.407 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 39.7 Cg_endo -67.71 174.0 8.21 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 O-C-N 124.3 1.684 . . . . 0.0 111.672 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.07 -7.66 0.15 Allowed 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.407 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 14.2 ptm -47.99 -26.46 1.78 Allowed 'General case' 0 C--O 1.213 -0.831 0 O-C-N 120.816 -1.178 . . . . 0.0 110.824 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -60.13 -21.39 61.53 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.823 -1.173 . . . . 0.0 110.061 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.38 -34.92 54.83 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.282 -0.886 . . . . 0.0 110.852 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 2.8 p30 -62.55 -23.22 66.88 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.786 -1.196 . . . . 0.0 110.45 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.578 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 32.6 t -69.42 -41.72 75.97 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.719 HG12 ' HA ' ' A' ' 55' ' ' VAL . 78.2 mt -68.67 -37.73 77.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 114' ' ' ASP . 43.4 mt -63.7 -34.17 77.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.76 -0.588 . . . . 0.0 109.487 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' C ' ' HG3' ' A' ' 39' ' ' PRO . . . -65.91 -44.73 84.33 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.75 -25.6 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -71.33 -44.52 64.93 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.152 -0.967 . . . . 0.0 109.768 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -71.64 -26.44 62.55 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.373 -0.829 . . . . 0.0 109.233 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.439 ' O ' HG13 ' A' ' 126' ' ' ILE . 80.7 t80 -68.13 -52.03 39.48 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.434 -0.791 . . . . 0.0 109.038 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -67.49 -27.36 66.94 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.746 -0.596 . . . . 0.0 109.929 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.74 -42.02 99.46 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -66.6 -37.16 84.31 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.502 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 64.6 mt -63.08 -37.54 79.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.62 -0.675 . . . . 0.0 109.522 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -67.33 -41.62 84.95 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.395 -0.816 . . . . 0.0 109.667 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -33.89 73.82 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.299 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.515 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 20.6 t80 -65.0 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.498 -0.751 . . . . 0.0 109.328 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 50.1 mt -68.01 -39.25 83.2 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.692 -0.63 . . . . 0.0 109.506 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.8 -25.37 61.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.099 -1.0 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.2 -47.6 49.41 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.298 -0.876 . . . . 0.0 109.124 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -81.9 2.86 28.52 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.88 -0.513 . . . . 0.0 109.83 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 61.86 36.48 15.94 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.504 -0.748 . . . . 0.0 110.034 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.454 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 64.8 m-85 58.28 49.19 11.44 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.632 -0.667 . . . . 0.0 110.181 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.465 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 25.4 m -78.16 161.63 69.87 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.295 -0.878 . . . . 0.0 109.497 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.2 Cg_endo -69.19 -34.27 16.86 Favored 'Trans proline' 0 C--N 1.352 0.718 0 O-C-N 123.773 1.407 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.41 -39.26 68.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.417 -0.802 . . . . 0.0 109.078 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.02 94.77 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.48 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 24.1 m95 -67.89 -31.56 71.45 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.632 -0.667 . . . . 0.0 109.76 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -65.86 -39.97 91.23 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.332 -0.855 . . . . 0.0 108.898 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' A' ' 33' ' ' ARG . 55.7 t -67.34 -41.37 86.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.1 t -70.86 -23.27 23.65 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 121.623 -0.673 . . . . 0.0 109.509 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.438 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 27.6 ttp85 -72.69 -46.71 52.37 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.542 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.05 75.23 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.79 -37.58 70.41 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.617 -0.677 . . . . 0.0 109.686 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -68.83 -38.03 78.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 O-C-N 121.311 -0.868 . . . . 0.0 108.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.409 ' HG3' HD21 ' A' ' 15' ' ' LEU . 31.9 ttm -64.06 -49.91 70.46 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.608 -0.683 . . . . 0.0 109.832 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -33.22 74.41 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.771 -0.581 . . . . 0.0 111.06 -178.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.9 m -72.48 -49.31 33.99 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.164 -0.96 . . . . 0.0 109.329 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.45 ' HD2' ' HG ' ' A' ' 15' ' ' LEU . 40.9 t80 -65.87 -31.53 72.53 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.589 -0.694 . . . . 0.0 109.483 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.522 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 39.0 m -71.81 -40.96 68.81 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.17 -43.36 99.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 121.215 0.531 . . . . 0.0 109.94 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.588 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.7 m -65.74 -37.72 87.17 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.703 -0.623 . . . . 0.0 110.082 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.501 HG22 ' HB3' ' A' ' 11' ' ' SER . 66.8 p -92.13 1.82 56.97 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.439 -0.788 . . . . 0.0 110.272 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -81.49 1.55 32.88 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 121.258 -0.901 . . . . 0.0 111.099 -178.16 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 47' ' ' PHE . 4.2 mm? -54.57 -33.42 60.23 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.667 -1.271 . . . . 0.0 111.041 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.462 ' HG3' ' CD ' ' A' ' 49' ' ' LYS . 60.8 mt-30 -70.71 -57.58 4.53 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.175 -0.953 . . . . 0.0 110.661 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.423 ' HB3' ' ND2' ' A' ' 156' ' ' ASN . 6.3 tp10 -74.75 -24.35 58.69 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.245 -0.909 . . . . 0.0 110.495 -178.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 37.9 t -139.86 94.76 2.8 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.46 -55.7 19.08 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.618 -0.676 . . . . 0.0 109.738 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -125.36 -57.52 1.48 Allowed 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.457 -0.777 . . . . 0.0 109.571 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 67.5 m -142.16 71.43 1.35 Allowed 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.444 -0.785 . . . . 0.0 109.424 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 164' ' ' LYS . 22.9 tptm -147.35 68.09 1.14 Allowed 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.299 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 121.542 0.686 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -99.77 71.01 1.66 Allowed 'General case' 0 C--O 1.219 -0.513 0 O-C-N 121.786 -0.572 . . . . 0.0 109.94 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.534 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . 10.7 mp -74.74 -66.58 0.44 Allowed Pre-proline 0 C--O 1.217 -0.623 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 3' ' ' LEU . 44.9 Cg_endo -70.47 169.36 19.99 Favored 'Trans proline' 0 C--N 1.353 0.809 0 O-C-N 123.577 1.304 . . . . 0.0 109.982 175.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -99.02 62.03 1.27 Allowed 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.194 -0.941 . . . . 0.0 109.748 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -142.38 59.88 1.45 Allowed 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.43 -0.794 . . . . 0.0 109.189 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -127.42 -174.63 3.22 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.271 -0.893 . . . . 0.0 109.72 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -77.03 174.97 10.04 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.354 -0.841 . . . . 0.0 109.892 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.78 79.76 1.89 Allowed 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.494 -0.753 . . . . 0.0 109.073 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.0 -37.06 30.15 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.487 ' HB2' HG23 ' A' ' 155' ' ' THR . 35.0 p -58.98 -51.13 71.38 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.216 -1.167 . . . . 0.0 110.501 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -63.9 -36.78 85.06 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.409 -0.807 . . . . 0.0 109.367 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -67.78 -35.35 78.51 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.561 -0.712 . . . . 0.0 109.284 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.5 m -62.24 -44.39 96.67 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.581 -0.7 . . . . 0.0 109.204 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.52 HD21 ' HG3' ' A' ' 148' ' ' MET . 95.7 mt -68.45 -32.93 73.3 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.583 -0.698 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.6 ttp -64.89 -38.32 90.57 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.302 -0.874 . . . . 0.0 108.876 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 84' ' ' PHE . 79.9 mt -63.33 -40.84 98.42 Favored 'General case' 0 C--O 1.212 -0.868 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.487 HD11 ' HA ' ' A' ' 15' ' ' LEU . 48.6 mt -61.18 -36.25 79.33 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.758 -0.589 . . . . 0.0 109.626 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.02 90.97 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.5 -0.75 . . . . 0.0 109.572 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -71.09 -30.33 66.41 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.293 -0.879 . . . . 0.0 109.601 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.459 ' HE2' ' CD2' ' A' ' 67' ' ' PHE . 34.9 mtp -68.23 -27.28 66.22 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.534 -0.729 . . . . 0.0 110.041 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -49.22 126.4 12.75 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.455 -0.778 . . . . 0.0 109.519 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.574 ' HG3' ' HZ3' ' A' ' 76' ' ' TRP . 17.3 mtpt -112.64 -27.13 8.31 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.794 -0.566 . . . . 0.0 109.676 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 pt -128.73 170.34 18.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 O-C-N 121.447 -0.783 . . . . 0.0 109.952 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m -84.09 137.64 33.46 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.566 ' O ' HD11 ' A' ' 30' ' ' LEU . 53.9 tp -60.74 -39.86 90.28 Favored 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.694 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 83.1 m-85 -60.81 -40.13 91.55 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -59.83 -30.58 69.04 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.0 m -102.53 50.6 0.82 Allowed 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.648 -0.658 . . . . 0.0 109.6 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.694 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -88.64 10.88 19.07 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.332 -0.855 . . . . 0.0 109.719 178.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -97.23 -25.38 15.3 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.299 -0.876 . . . . 0.0 109.395 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -116.32 23.32 12.19 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.423 -0.798 . . . . 0.0 109.896 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.532 ' HA ' HG23 ' A' ' 142' ' ' VAL . 79.8 ttt180 -86.36 123.57 31.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.008 -1.057 . . . . 0.0 109.292 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -144.71 132.38 21.07 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.76 114.2 7.73 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.503 -0.748 . . . . 0.0 109.157 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.613 ' HE1' ' HB2' ' A' ' 129' ' ' TYR . 60.4 m-85 -69.38 -51.94 31.9 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.119 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.59 67.71 0.54 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 54.1 t80 -72.28 133.18 83.49 Favored Pre-proline 0 C--O 1.216 -0.664 0 O-C-N 121.633 -0.922 . . . . 0.0 109.195 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.592 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 53.5 Cg_endo -79.83 81.07 2.87 Favored 'Trans proline' 0 C--N 1.352 0.73 0 O-C-N 123.722 1.38 . . . . 0.0 110.89 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 5.4 tm0? -88.4 -17.91 29.48 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.242 -0.911 . . . . 0.0 109.49 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.66 -32.39 69.05 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -94.22 26.74 3.17 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.351 -0.843 . . . . 0.0 109.271 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CZ ' HG12 ' A' ' 55' ' ' VAL . 8.1 m-85 -131.7 12.57 4.87 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.275 -0.89 . . . . 0.0 109.772 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.29 -94.86 2.37 Favored Glycine 0 C--O 1.217 -0.947 0 O-C-N 120.747 -1.22 . . . . 0.0 110.386 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -65.77 134.4 53.06 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.902 -0.763 . . . . 0.0 109.804 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 65.49 28.21 11.54 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.526 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 59.4 m-85 -149.59 46.67 0.95 Allowed 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.318 -0.864 . . . . 0.0 109.725 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 157' ' ' LEU . 18.5 pt20 -157.92 151.94 24.2 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 120.951 -1.093 . . . . 0.0 110.648 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt 59.23 85.47 0.1 Allowed 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.79 -0.569 . . . . 0.0 110.051 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 56.54 57.54 4.77 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.61 -0.681 . . . . 0.0 109.714 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -148.73 -51.35 0.16 Allowed 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.451 -0.781 . . . . 0.0 109.54 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.526 ' CG2' ' HB3' ' A' ' 47' ' ' PHE . 2.9 p -90.73 10.23 26.76 Favored 'General case' 0 C--O 1.208 -1.127 0 O-C-N 121.83 -0.544 . . . . 0.0 110.274 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.6 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 37.6 mt -54.36 -41.98 91.82 Favored Pre-proline 0 C--O 1.214 -0.787 0 O-C-N 120.933 -1.104 . . . . 0.0 110.685 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.2 Cg_endo -68.9 -37.25 11.72 Favored 'Trans proline' 0 C--N 1.356 0.958 0 O-C-N 123.06 1.032 . . . . 0.0 110.301 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.753 ' HA ' HG12 ' A' ' 116' ' ' ILE . 41.3 t -68.77 -47.14 77.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.588 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 67.3 mt -60.24 -35.05 74.6 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -60.53 -47.97 83.84 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.64 -0.663 . . . . 0.0 109.393 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.61 ' HG2' ' CG2' ' A' ' 116' ' ' ILE . 5.4 tp10 -69.35 -30.66 68.73 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.268 -0.895 . . . . 0.0 109.486 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 ttm -64.5 -39.9 94.64 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.369 -0.832 . . . . 0.0 108.899 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.637 ' CG2' ' HG ' ' A' ' 92' ' ' LEU . 9.6 mm -65.68 -36.15 76.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.36 -33.88 71.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.505 -0.747 . . . . 0.0 109.619 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.39 -40.28 74.04 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.351 -0.843 . . . . 0.0 109.328 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' A' ' 67' ' ' PHE . 75.2 mt -75.89 -25.18 17.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.558 ' HA ' HD11 ' A' ' 88' ' ' LEU . 56.6 t80 -68.94 -43.43 75.09 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 121.275 -0.891 . . . . 0.0 109.537 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -81.52 -35.1 30.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.482 -0.761 . . . . 0.0 109.645 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.3 -32.43 71.2 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.485 -0.759 . . . . 0.0 109.355 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CE1' HG22 ' A' ' 63' ' ' ILE . 10.9 m-85 -96.76 -27.58 14.67 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.527 -0.733 . . . . 0.0 110.017 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.7 t -70.0 -22.95 63.07 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.296 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.3 p -53.47 147.63 10.5 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.315 -0.866 . . . . 0.0 109.922 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -60.55 -23.54 64.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.564 -0.71 . . . . 0.0 109.99 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 46.0 m-20 -72.52 -43.79 63.08 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 109.456 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.525 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 9.5 t -79.8 -30.37 40.56 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.351 -0.843 . . . . 0.0 109.616 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.551 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 32.7 t -65.35 -37.19 86.29 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.585 -0.697 . . . . 0.0 109.285 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -24.26 32.09 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.08 67.83 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.574 ' HZ3' ' HG3' ' A' ' 23' ' ' LYS . 73.7 m95 -121.21 170.62 9.4 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.525 -0.735 . . . . 0.0 109.931 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -65.63 133.15 50.54 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.63 -28.98 69.98 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.5 -0.75 . . . . 0.0 110.508 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -78.24 -43.78 27.37 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.048 -1.033 . . . . 0.0 109.063 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.87 -36.66 84.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.551 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.94 -34.04 68.71 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.21 -50.92 69.88 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.22 -35.49 81.22 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.537 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 26.0 t80 -61.57 -31.67 71.72 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.664 -0.647 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -76.21 -32.99 59.26 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.5 m -69.35 -36.02 76.46 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.535 -0.728 . . . . 0.0 109.493 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.91 -28.1 55.16 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.323 -0.861 . . . . 0.0 109.368 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 64' ' ' PHE . 65.1 mt -73.09 -40.11 65.28 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.454 -0.779 . . . . 0.0 109.296 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.458 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.82 -32.97 52.55 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 179.502 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.29 -46.01 74.87 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 5.9 tp-100 -68.18 -26.56 65.81 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.637 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 7.8 mt -72.7 -35.52 67.65 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.354 -0.841 . . . . 0.0 109.848 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -75.64 -39.97 56.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.256 -0.903 . . . . 0.0 109.0 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -66.04 -39.18 89.94 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.429 HD22 HG22 ' A' ' 53' ' ' ILE . 43.5 mt -68.59 -40.44 80.47 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 100' ' ' ILE . 86.0 tt0 -67.95 -28.53 67.54 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 121.502 -0.749 . . . . 0.0 110.02 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.34 -49.13 45.54 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.632 -0.667 . . . . 0.0 110.707 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.526 ' SG ' ' CD1' ' A' ' 53' ' ' ILE . 2.4 m -59.45 -45.44 91.58 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.235 -0.915 . . . . 0.0 108.582 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.5 t -61.4 -30.69 48.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 O-C-N 121.856 -0.527 . . . . 0.0 110.161 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 96' ' ' GLU . 42.6 mm -66.58 -57.07 11.6 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 O-C-N 121.061 -1.024 . . . . 0.0 108.806 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -82.25 -173.92 4.82 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.576 -0.703 . . . . 0.0 109.696 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.69 -35.48 40.49 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.3 m -53.55 145.84 3.38 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.869 0 O-C-N 121.597 -0.943 . . . . 0.0 109.947 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.503 ' HA3' ' HB3' ' A' ' 98' ' ' CYS . . . 120.07 -63.83 0.46 Allowed Glycine 0 C--O 1.216 -1.007 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.9 m -145.03 86.97 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 O-C-N 121.643 -0.916 . . . . 0.0 109.869 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 89.5 m -122.36 3.6 9.72 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.873 0.844 . . . . 0.0 110.056 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -130.81 -26.39 2.21 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 121.85 -0.531 . . . . 0.0 109.916 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.6 p -78.55 138.07 58.96 Favored Pre-proline 0 C--O 1.216 -0.661 0 O-C-N 121.162 -0.962 . . . . 0.0 109.813 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 43.6 Cg_endo -73.47 174.25 12.48 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 O-C-N 124.251 1.658 . . . . 0.0 110.665 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.57 -9.2 0.46 Allowed 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.633 -0.667 . . . . 0.0 111.258 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.542 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 18.7 ptm -50.86 -23.62 2.94 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.129 -0.982 . . . . 0.0 110.819 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -53.67 -32.04 50.09 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.449 -0.782 . . . . 0.0 110.199 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.39 -37.08 84.45 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.342 -0.849 . . . . 0.0 109.577 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -62.54 -32.92 73.95 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.422 -0.798 . . . . 0.0 109.66 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.507 ' HB3' HG23 ' A' ' 55' ' ' VAL . 32.6 t -64.1 -41.22 97.35 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.753 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.9 mt -66.8 -36.62 77.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.436 ' CD2' ' HD2' ' A' ' 120' ' ' ARG . 28.0 mt -62.55 -35.37 79.23 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.85 -0.531 . . . . 0.0 109.629 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.75 -43.31 84.49 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 82.2 t -67.74 -27.91 39.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 O-C-N 121.669 -0.644 . . . . 0.0 109.547 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.436 ' HD2' ' CD2' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.31 -37.24 77.66 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.011 -1.056 . . . . 0.0 109.198 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -72.36 -32.99 66.93 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.359 -0.838 . . . . 0.0 108.935 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.573 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 72.0 t80 -64.25 -50.07 69.41 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.584 -0.698 . . . . 0.0 109.275 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -69.04 -26.6 65.06 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.743 -0.598 . . . . 0.0 110.534 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.24 95.27 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 2.8 tpt85 -65.99 -39.04 89.98 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 122' ' ' TYR . 66.6 mt -61.05 -37.18 76.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 O-C-N 121.551 -0.718 . . . . 0.0 109.369 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.1 m -68.55 -38.41 80.76 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.543 -0.723 . . . . 0.0 109.7 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.66 -38.24 83.52 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.346 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.613 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.5 t80 -62.77 -37.44 86.67 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.555 -0.716 . . . . 0.0 109.291 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.14 -41.52 85.94 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.31 -24.79 63.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.874 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -47.8 45.25 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.345 -0.847 . . . . 0.0 109.408 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 14.3 mptt -83.41 4.48 27.35 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 58.84 39.54 23.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.418 -0.801 . . . . 0.0 109.669 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.9 m-85 60.6 52.8 4.35 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.541 -0.724 . . . . 0.0 109.586 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.462 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 37.2 t -78.48 151.4 77.56 Favored Pre-proline 0 C--O 1.215 -0.737 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.3 Cg_endo -63.49 -31.5 71.54 Favored 'Trans proline' 0 C--N 1.353 0.798 0 O-C-N 123.648 1.341 . . . . 0.0 111.052 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.88 -40.69 54.04 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.264 -0.898 . . . . 0.0 108.863 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.25 82.04 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 19.9 m95 -71.28 -34.99 71.16 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.633 -0.667 . . . . 0.0 109.5 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.82 -37.12 86.55 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 33' ' ' ARG . 56.1 t -68.53 -42.95 83.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 147' ' ' ILE . 96.1 t -69.99 -22.76 24.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 121.767 -0.583 . . . . 0.0 109.596 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.412 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 30.0 ttp85 -71.28 -47.81 54.67 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 120.993 -1.067 . . . . 0.0 108.717 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.01 72.67 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.57 -33.76 66.99 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.603 -0.685 . . . . 0.0 109.749 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 143' ' ' VAL . 12.0 mm -72.1 -37.88 61.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.52 ' HG3' HD21 ' A' ' 15' ' ' LEU . 36.5 ttm -65.02 -34.72 79.12 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 149' ' ' ARG . 20.7 tpp180 -70.84 -57.5 4.55 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 121.776 -0.577 . . . . 0.0 109.976 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.496 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 19.9 p -57.86 -38.69 76.16 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.958 -0.464 . . . . 0.0 109.994 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -71.52 -39.38 70.79 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.411 -0.806 . . . . 0.0 109.575 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.577 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 21.8 t -68.48 -28.81 67.36 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 121.624 -0.672 . . . . 0.0 109.385 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.502 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 38.4 mt -71.97 -45.86 59.5 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.643 -0.661 . . . . 0.0 109.372 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.588 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.1 m -66.5 -40.09 89.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.798 -0.564 . . . . 0.0 110.272 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 11' ' ' SER . 74.6 p -86.65 -10.09 54.57 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.525 -0.734 . . . . 0.0 110.98 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.577 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.7 t-20 -65.89 -23.44 66.64 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 120.866 -1.146 . . . . 0.0 109.32 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.551 ' CD1' ' HB3' ' A' ' 48' ' ' GLN . 4.3 mm? -54.14 -30.87 50.7 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.513 -0.742 . . . . 0.0 110.194 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -56.68 -45.08 81.93 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.513 ' O ' ' C ' ' A' ' 160' ' ' SER . 38.0 tt0 -83.52 -66.84 0.84 Allowed 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.513 ' C ' ' O ' ' A' ' 159' ' ' GLU . 58.3 m 1.11 79.06 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.112 0.965 . . . . 0.0 112.249 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -68.49 121.71 16.93 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -58.42 -34.07 70.37 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.53 -0.732 . . . . 0.0 109.784 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.9 t -74.05 93.28 2.24 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.368 -0.833 . . . . 0.0 108.884 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -108.97 44.02 1.19 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.542 -0.724 . . . . 0.0 109.347 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.851 -1.071 . . . . 0.0 109.317 179.684 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.538 0.685 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -139.09 76.16 1.55 Allowed 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.625 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 1.2 mt -71.29 -52.79 8.61 Favored Pre-proline 0 C--O 1.215 -0.718 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.625 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.2 Cg_endo -81.81 121.75 3.74 Favored 'Trans proline' 0 C--N 1.352 0.759 0 O-C-N 124.048 1.551 . . . . 0.0 109.979 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -116.15 78.57 1.2 Allowed 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.411 -0.806 . . . . 0.0 109.958 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -89.73 -60.19 2.0 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.291 -0.881 . . . . 0.0 109.174 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -121.82 -179.41 4.11 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.452 -0.78 . . . . 0.0 109.293 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.7 t -173.04 139.17 0.8 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.467 -0.771 . . . . 0.0 109.474 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.84 39.02 0.27 Allowed 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.501 -0.749 . . . . 0.0 109.857 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.36 -61.39 0.6 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.427 ' HB2' ' HE1' ' A' ' 151' ' ' PHE . 45.5 p -63.66 -36.71 84.72 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.796 -0.826 . . . . 0.0 109.392 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -69.62 -38.14 77.12 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.614 -0.679 . . . . 0.0 109.462 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.596 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 15.8 ttt85 -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.394 -0.816 . . . . 0.0 109.469 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.9 m -68.75 -40.0 80.02 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.062 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.545 ' CD2' ' HB3' ' A' ' 151' ' ' PHE . 31.3 mt -70.65 -40.99 72.7 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.777 -0.577 . . . . 0.0 110.178 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.596 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.5 ptm -63.78 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.109 -0.994 . . . . 0.0 109.074 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.558 HD13 ' HG3' ' A' ' 87' ' ' GLU . 65.6 mt -63.27 -46.38 87.08 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -57.46 -34.89 69.48 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.782 -0.574 . . . . 0.0 109.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.54 72.98 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.473 -0.767 . . . . 0.0 109.686 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.31 -33.41 75.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.431 -0.793 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.7 mtp -67.03 -29.98 69.94 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.405 -0.809 . . . . 0.0 109.747 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -52.2 109.93 0.43 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.609 -0.682 . . . . 0.0 109.694 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -98.69 -35.6 10.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.57 -0.706 . . . . 0.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.4 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 5.2 pt -106.1 172.44 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 O-C-N 121.602 -0.686 . . . . 0.0 109.347 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.0 147.86 24.08 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD11 ' HG3' ' A' ' 141' ' ' GLU . 24.3 tp -65.56 -32.92 74.78 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.24 -39.41 86.17 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -64.04 -27.28 69.0 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.528 -0.732 . . . . 0.0 109.15 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.4 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 20.1 m -113.76 54.34 0.75 Allowed 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.564 -0.71 . . . . 0.0 110.123 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.7 mt -84.03 3.02 36.38 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 120.909 -1.119 . . . . 0.0 110.075 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -80.28 -28.47 38.32 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 109.125 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -105.29 16.0 26.39 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.699 -0.626 . . . . 0.0 110.111 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HA ' HG23 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -65.2 109.01 2.06 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.566 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -148.44 124.1 10.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.696 -0.628 . . . . 0.0 109.383 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -81.6 127.68 33.13 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.476 -0.765 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.617 ' CD2' HG12 ' A' ' 126' ' ' ILE . 20.6 m-30 -82.58 -49.58 9.71 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.47 -0.768 . . . . 0.0 109.376 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.84 71.7 0.45 Allowed Glycine 0 CA--C 1.535 1.295 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.514 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.2 t80 -65.7 130.17 94.48 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.499 -1.001 . . . . 0.0 109.035 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.514 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.2 Cg_endo -75.7 73.4 4.72 Favored 'Trans proline' 0 C--N 1.352 0.762 0 O-C-N 123.775 1.408 . . . . 0.0 110.954 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 4.4 tt0 -79.69 -18.94 50.12 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.348 -0.845 . . . . 0.0 109.402 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.97 -29.06 66.9 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.02 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.2 tp10 -93.84 20.11 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.474 -0.766 . . . . 0.0 109.326 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 28.6 m-85 -135.48 17.96 3.36 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.355 -0.841 . . . . 0.0 109.692 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.04 -96.96 2.2 Favored Glycine 0 C--O 1.217 -0.954 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -74.56 150.77 39.6 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.8 -0.824 . . . . 0.0 109.236 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 66.87 16.6 10.4 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.624 -0.673 . . . . 0.0 109.23 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' HB3' ' OG1' ' A' ' 52' ' ' THR . 73.5 m-85 -146.02 67.28 1.2 Allowed 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -158.33 166.19 32.9 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.262 -0.899 . . . . 0.0 109.714 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 63.82 57.13 1.4 Allowed 'General case' 0 C--O 1.219 -0.539 0 O-C-N 121.535 -0.728 . . . . 0.0 109.41 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . 60.62 58.24 2.51 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.49 -0.756 . . . . 0.0 109.818 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 77.9 mm-40 -130.79 -42.16 1.14 Allowed 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.323 -0.861 . . . . 0.0 110.124 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -81.95 0.74 38.6 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.802 -0.561 . . . . 0.0 110.03 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.568 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 70.6 mt -49.69 -46.71 79.82 Favored Pre-proline 0 C--O 1.212 -0.901 0 O-C-N 121.425 -0.797 . . . . 0.0 111.814 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.06 -35.86 40.42 Favored 'Trans proline' 0 C--N 1.354 0.834 0 O-C-N 123.141 1.074 . . . . 0.0 110.788 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.593 ' HA ' HG12 ' A' ' 116' ' ' ILE . 8.0 t -68.98 -39.99 80.41 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.565 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 39.1 mt -65.78 -35.64 81.28 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -60.04 -48.84 80.03 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.637 -0.664 . . . . 0.0 109.329 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' HG3' HG22 ' A' ' 116' ' ' ILE . 10.8 mm-40 -70.79 -24.2 62.53 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 119.344 -0.942 . . . . 0.0 109.321 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.2 -36.77 80.07 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.628 HG23 ' CD1' ' A' ' 92' ' ' LEU . 12.6 mm -75.74 -28.01 19.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 O-C-N 121.411 -0.805 . . . . 0.0 109.241 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.79 -36.78 67.67 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.256 -0.902 . . . . 0.0 108.9 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -74.18 -38.92 63.52 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.497 -0.752 . . . . 0.0 110.256 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.528 HG21 ' CD1' ' A' ' 67' ' ' PHE . 76.9 mt -72.84 -36.02 51.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 121.181 -0.95 . . . . 0.0 108.518 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' HD11 ' A' ' 88' ' ' LEU . 41.7 t80 -59.84 -42.81 94.41 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.498 -0.751 . . . . 0.0 109.798 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -80.19 -39.36 29.37 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.468 -0.77 . . . . 0.0 110.117 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.8 tp -58.64 -32.04 68.69 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.33 -0.857 . . . . 0.0 109.487 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.528 ' CD1' HG21 ' A' ' 63' ' ' ILE . 10.9 m-85 -93.82 -31.95 14.16 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.455 -0.778 . . . . 0.0 109.753 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.0 t -65.61 -25.31 67.33 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.5 p -54.19 146.02 16.07 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.213 -0.929 . . . . 0.0 109.544 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.11 -22.27 65.68 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.469 -0.77 . . . . 0.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 52.3 m-20 -68.92 -45.71 70.14 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.496 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 22.5 t -77.95 -29.95 50.12 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.577 -0.702 . . . . 0.0 109.475 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.543 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.7 m -65.48 -36.55 84.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.505 -0.747 . . . . 0.0 109.388 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.49 -26.44 30.22 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.23 72.4 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.588 -0.695 . . . . 0.0 109.967 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.475 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 73.8 m95 -118.84 178.15 4.59 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.589 -0.694 . . . . 0.0 109.529 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.84 135.9 43.44 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -66.25 -29.88 70.2 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.448 -0.782 . . . . 0.0 110.565 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -77.54 -45.56 25.03 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.164 -0.96 . . . . 0.0 108.9 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.65 -35.89 81.08 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.9 mt -72.58 -33.67 66.9 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.41 -51.66 67.53 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.09 -35.36 80.51 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 45.5 t80 -62.1 -35.81 79.84 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.669 -0.645 . . . . 0.0 109.761 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -72.62 -37.07 68.17 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.228 -0.92 . . . . 0.0 109.336 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.3 m -64.93 -42.6 94.52 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.568 -0.708 . . . . 0.0 109.562 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.558 ' HG3' HD13 ' A' ' 17' ' ' LEU . 58.3 mm-40 -68.65 -30.76 69.54 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.37 -0.831 . . . . 0.0 109.366 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 60' ' ' ILE . 36.0 mt -66.89 -45.59 77.56 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.603 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.4 t80 -73.88 -31.69 63.26 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -66.39 -46.85 75.26 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.144 -0.972 . . . . 0.0 108.727 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.44 -30.5 71.53 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.628 ' CD1' HG23 ' A' ' 60' ' ' ILE . 11.2 mt -69.51 -33.75 73.28 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.773 -0.579 . . . . 0.0 109.86 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -69.44 -44.17 71.84 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.276 -0.89 . . . . 0.0 109.313 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.46 -42.51 87.47 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.604 -0.685 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 53' ' ' ILE . 81.1 mt -63.05 -36.59 84.09 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.802 -0.561 . . . . 0.0 109.755 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 100' ' ' ILE . 86.9 tt0 -71.21 -39.17 71.91 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.496 -0.753 . . . . 0.0 109.716 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.98 -44.81 67.46 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.739 -0.6 . . . . 0.0 109.542 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.508 ' CB ' HD11 ' A' ' 53' ' ' ILE . 62.4 m -58.44 -47.76 82.92 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.63 -32.37 53.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 O-C-N 122.075 -0.391 . . . . 0.0 110.63 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 96' ' ' GLU . 42.1 mm -57.06 -53.36 44.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 O-C-N 121.17 -0.956 . . . . 0.0 108.974 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.403 ' HB2' HG23 ' A' ' 103' ' ' VAL . 15.4 mp0 -81.29 -179.41 7.35 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.641 -0.662 . . . . 0.0 109.304 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.96 -26.09 73.24 Favored Glycine 0 CA--C 1.536 1.385 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.403 HG23 ' HB2' ' A' ' 101' ' ' GLN . 19.3 m -62.06 173.01 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 121.451 -1.029 . . . . 0.0 110.11 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.8 -78.09 1.82 Allowed Glycine 0 C--O 1.216 -0.992 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.3 m -92.82 173.51 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 121.66 -0.906 . . . . 0.0 109.548 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.9 p -106.95 173.5 6.3 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 121.376 -0.827 . . . . 0.0 109.603 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -58.09 -42.17 85.06 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.6 t -119.28 87.06 34.5 Favored Pre-proline 0 C--O 1.218 -0.602 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.588 ' HB2' ' HE2' ' A' ' 112' ' ' LYS . 38.0 Cg_endo -69.67 99.31 0.73 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 O-C-N 123.761 1.401 . . . . 0.0 111.8 -177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.9 mt -121.98 -46.38 2.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.537 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -60.34 -25.97 66.23 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 122.064 -0.397 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.588 ' HE2' ' HB2' ' A' ' 109' ' ' PRO . 33.7 pttt -80.98 -25.32 37.38 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.031 -1.043 . . . . 0.0 110.394 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -70.95 -51.12 27.72 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.217 -0.927 . . . . 0.0 109.971 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -63.2 -26.63 68.89 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.212 -0.93 . . . . 0.0 109.486 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.507 ' HB3' HG13 ' A' ' 55' ' ' VAL . 68.9 m -69.32 -48.27 62.01 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.593 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.2 mt -68.61 -31.89 52.89 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 O-C-N 121.56 -0.712 . . . . 0.0 109.282 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.1 mt -68.97 -34.77 75.87 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.599 -0.688 . . . . 0.0 109.305 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.48 -44.35 78.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.44 -26.02 34.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -70.96 -43.94 67.09 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.246 -0.909 . . . . 0.0 109.661 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.63 -30.28 67.97 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.406 -0.809 . . . . 0.0 108.918 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 88.8 t80 -65.59 -51.16 61.79 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.65 -28.15 66.63 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.762 -0.587 . . . . 0.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -64.77 -40.5 95.37 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 tpt85 -66.62 -33.58 75.98 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.617 HG12 ' CD2' ' A' ' 36' ' ' PHE . 40.9 mt -67.93 -36.86 77.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 121.523 -0.736 . . . . 0.0 109.178 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.3 m -65.4 -43.64 89.98 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.459 -0.776 . . . . 0.0 109.354 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 31.6 mt -72.12 -31.63 66.2 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.496 -0.753 . . . . 0.0 109.718 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -63.6 -43.66 96.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.7 mt -65.49 -44.22 87.75 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -67.57 -29.12 68.4 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.394 -0.816 . . . . 0.0 109.847 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.51 -46.24 67.01 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.482 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.553 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.3 mptt -83.83 5.04 26.57 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.708 -0.62 . . . . 0.0 109.856 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp 60.73 38.82 18.03 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.515 -0.74 . . . . 0.0 110.171 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 44.0 m-85 57.78 50.15 11.09 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.569 -0.707 . . . . 0.0 109.862 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.41 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 33.5 t -76.9 149.73 80.56 Favored Pre-proline 0 C--O 1.216 -0.703 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.41 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.99 -32.45 53.95 Favored 'Trans proline' 0 C--N 1.353 0.772 0 O-C-N 123.628 1.331 . . . . 0.0 110.603 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.0 m -70.99 -40.82 71.66 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.402 ' HB3' ' HG2' ' A' ' 133' ' ' LYS . . . -65.08 -41.52 94.94 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 21.2 m95 -64.44 -34.52 78.39 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 121.684 -0.635 . . . . 0.0 109.821 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.417 ' HG3' HD11 ' A' ' 26' ' ' LEU . 3.0 tp10 -63.41 -43.28 97.96 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.274 -0.891 . . . . 0.0 108.985 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.464 HG23 ' HA ' ' A' ' 33' ' ' ARG . 51.0 t -62.59 -42.15 94.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 121.788 -0.57 . . . . 0.0 109.551 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.504 ' CG1' HG22 ' A' ' 126' ' ' ILE . 60.4 t -73.55 -25.31 20.81 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.939 0 O-C-N 121.584 -0.698 . . . . 0.0 110.313 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.647 ' HG3' ' N ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -68.97 -49.38 58.44 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.024 -1.047 . . . . 0.0 108.416 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.647 ' N ' ' HG3' ' A' ' 144' ' ' ARG . . . -63.22 -37.24 86.44 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 142' ' ' VAL . 48.7 mt-10 -68.98 -31.71 70.76 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.802 -0.561 . . . . 0.0 110.094 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.1 mm -76.39 -30.79 19.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 121.308 -0.87 . . . . 0.0 109.289 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.523 ' HG3' HD21 ' A' ' 15' ' ' LEU . 32.8 ttm -73.89 -36.72 64.81 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -73.22 -42.54 62.49 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.554 -0.716 . . . . 0.0 109.322 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.429 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 73.7 m -66.2 -35.74 81.23 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.607 -0.683 . . . . 0.0 109.545 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.545 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 20.6 t80 -72.69 -42.72 63.92 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.45 -0.781 . . . . 0.0 109.39 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 76.0 p -64.96 -33.35 75.83 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.12 -42.5 75.99 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.668 -0.645 . . . . 0.0 109.496 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.565 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 16.8 p -64.67 -35.18 80.2 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.699 -0.626 . . . . 0.0 110.023 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 25.4 p -100.34 1.42 41.52 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.759 -0.588 . . . . 0.0 110.909 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 152' ' ' SER . 13.9 t-20 -66.12 -15.12 62.83 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.101 -0.999 . . . . 0.0 109.722 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.76 -24.36 66.78 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.237 -0.914 . . . . 0.0 109.826 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.464 ' HG2' ' HG3' ' A' ' 159' ' ' GLU . 40.4 tt0 -47.94 -59.67 3.17 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.573 -0.704 . . . . 0.0 109.918 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.464 ' HG3' ' HG2' ' A' ' 158' ' ' GLN . 49.0 mt-10 -151.35 115.87 5.12 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.8 t -141.11 77.76 1.61 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.349 0.595 . . . . 0.0 109.688 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.14 -17.65 32.27 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.355 -0.84 . . . . 0.0 109.866 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -114.22 64.73 0.66 Allowed 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.283 -0.885 . . . . 0.0 108.731 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.7 t -89.81 126.4 35.67 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.432 -0.792 . . . . 0.0 109.456 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -109.04 56.96 0.61 Allowed 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.472 -0.768 . . . . 0.0 109.04 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.361 -179.665 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.54 ' HB2' HG22 ' A' ' 103' ' ' VAL . 5.0 p . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.265 0.555 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -102.29 65.21 0.94 Allowed 'General case' 0 C--O 1.219 -0.55 0 O-C-N 121.462 -0.774 . . . . 0.0 110.136 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.651 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -126.75 -64.52 0.02 OUTLIER Pre-proline 0 C--O 1.216 -0.686 0 O-C-N 121.418 -0.801 . . . . 0.0 109.346 178.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.8 Cg_endo -72.1 102.78 1.39 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 O-C-N 123.481 1.253 . . . . 0.0 110.459 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -113.16 68.22 0.67 Allowed 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.4 p -144.9 -63.78 0.35 Allowed 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.41 -0.806 . . . . 0.0 109.585 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.22 162.18 29.52 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.368 -0.833 . . . . 0.0 109.359 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t -138.32 22.01 2.76 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.468 -0.77 . . . . 0.0 109.806 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -103.0 77.22 1.54 Allowed 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.436 -0.79 . . . . 0.0 109.392 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.37 -52.91 0.58 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.6 p -67.77 -32.32 72.83 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.635 -0.92 . . . . 0.0 110.021 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -65.91 -38.63 89.19 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -71.54 -37.89 71.09 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.343 -0.848 . . . . 0.0 109.476 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -61.76 -46.07 91.19 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.447 -0.783 . . . . 0.0 109.276 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD21 ' HG3' ' A' ' 148' ' ' MET . 85.2 mt -70.4 -31.97 69.4 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.615 -0.678 . . . . 0.0 109.654 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.6 ttp -63.87 -37.3 86.88 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.254 -0.903 . . . . 0.0 108.652 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 84' ' ' PHE . 94.7 mt -63.63 -43.37 96.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.436 ' HB3' ' HD3' ' A' ' 144' ' ' ARG . 54.5 mt -58.15 -40.37 81.18 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.83 -0.544 . . . . 0.0 109.576 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.76 96.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.668 -0.645 . . . . 0.0 109.793 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.47 -30.17 69.8 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.432 ' HE2' ' CD2' ' A' ' 67' ' ' PHE . 26.5 mtp -68.23 -28.04 66.89 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 144' ' ' ARG . 37.5 ttm180 -56.27 115.28 2.38 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.356 -0.84 . . . . 0.0 109.668 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -100.9 -35.98 9.21 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.373 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 141' ' ' GLU . 6.4 pt -104.5 170.39 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.461 -0.775 . . . . 0.0 109.867 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -89.96 134.38 34.26 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.566 ' O ' HD11 ' A' ' 30' ' ' LEU . 58.9 tp -58.74 -40.07 82.78 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.706 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 93.6 m-85 -58.67 -41.73 86.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -57.94 -31.95 67.33 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.1 m -101.34 50.68 0.85 Allowed 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.706 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -89.88 0.18 57.2 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -93.32 -25.18 17.85 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 109.09 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -104.49 18.39 22.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.53 -0.731 . . . . 0.0 109.57 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.628 ' HA ' HG23 ' A' ' 142' ' ' VAL . 12.7 tpt180 -73.33 119.24 17.29 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.165 -0.959 . . . . 0.0 109.513 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.13 129.6 13.9 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.69 145.01 36.87 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.207 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.491 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 24.2 m-85 -94.97 -39.9 9.95 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.442 -0.786 . . . . 0.0 109.843 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.46 60.01 0.46 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.5 t80 -66.07 132.57 94.61 Favored Pre-proline 0 C--O 1.217 -0.641 0 O-C-N 121.637 -0.92 . . . . 0.0 109.053 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.3 Cg_endo -78.64 62.58 8.33 Favored 'Trans proline' 0 C--N 1.352 0.741 0 O-C-N 123.829 1.437 . . . . 0.0 111.376 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 4.2 tp60 -75.33 -26.8 58.91 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.14 -31.97 63.82 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -97.78 44.96 1.03 Allowed 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 1.7 m-85 -147.39 23.62 1.15 Allowed 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.535 -0.728 . . . . 0.0 109.352 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.99 -91.43 2.21 Favored Glycine 0 C--O 1.217 -0.949 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 13.5 p-10 -69.96 137.27 51.33 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.825 -0.809 . . . . 0.0 109.331 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 89.8 mm-40 73.36 18.55 3.67 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.956 -0.465 . . . . 0.0 109.766 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 43' ' ' PHE . 30.8 m-85 -132.7 42.08 3.12 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -71.62 -164.89 0.13 Allowed 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.306 -0.871 . . . . 0.0 109.552 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 53' ' ' ILE . 64.0 pttt -85.85 17.34 3.48 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.187 -0.946 . . . . 0.0 110.336 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.95 31.54 0.62 Allowed 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.1 -1.0 . . . . 0.0 109.495 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -134.37 -58.17 0.84 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.362 -0.836 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.547 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 25.5 p -103.47 38.83 1.71 Allowed 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.938 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.691 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 84.9 mt -64.19 -37.58 27.26 Favored Pre-proline 0 C--O 1.216 -0.702 0 O-C-N 121.488 -0.757 . . . . 0.0 109.819 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.691 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -64.85 -25.11 60.48 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.049 1.026 . . . . 0.0 110.178 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.736 ' HA ' HG12 ' A' ' 116' ' ' ILE . 13.5 t -71.07 -38.67 72.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 37.7 mt -68.93 -33.87 74.43 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -65.35 -48.01 74.47 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' HG3' HG22 ' A' ' 116' ' ' ILE . 74.4 mm-40 -72.74 -27.18 61.88 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 ttt -66.53 -48.45 69.69 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.533 HG21 ' CD2' ' A' ' 88' ' ' LEU . 30.6 mt -69.18 -21.85 25.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -73.76 -35.67 65.02 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.73 -35.79 70.28 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.59 -0.693 . . . . 0.0 109.162 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' CE1' ' A' ' 67' ' ' PHE . 75.5 mt -74.88 -29.68 22.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 68' ' ' SER . 37.1 t80 -63.58 -46.72 84.58 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.333 -0.855 . . . . 0.0 109.431 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -78.3 -37.94 43.6 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.627 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.8 tp -57.56 -33.42 68.12 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.444 -0.785 . . . . 0.0 109.399 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 63' ' ' ILE . 17.4 m-85 -95.3 -24.73 16.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.667 -0.646 . . . . 0.0 110.015 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -79.08 -14.76 58.95 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.336 -0.852 . . . . 0.0 110.381 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 p -55.6 151.76 10.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.18 -0.95 . . . . 0.0 110.044 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -62.25 -22.23 65.82 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.588 -0.695 . . . . 0.0 109.751 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 43.7 m-20 -78.61 -40.91 33.09 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.357 -0.84 . . . . 0.0 109.688 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.513 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 21.9 t -79.46 -32.83 42.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 110.141 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 72.3 m -62.63 -35.93 81.18 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.52 -0.738 . . . . 0.0 109.124 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.38 -26.31 30.57 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -67.24 -31.57 72.01 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.544 -0.723 . . . . 0.0 110.333 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.436 ' HB2' HD13 ' A' ' 81' ' ' LEU . 76.8 m95 -120.16 175.08 6.11 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.479 -0.763 . . . . 0.0 109.631 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.73 133.82 46.92 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.9 -28.27 69.42 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.415 -0.803 . . . . 0.0 110.418 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.7 m -78.18 -44.81 24.82 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 108.84 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.0 -37.58 87.74 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.1 mt -71.96 -33.03 67.85 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.2 -50.89 69.96 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -63.87 -35.04 79.35 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.541 ' HA ' HD12 ' A' ' 17' ' ' LEU . 21.2 t80 -64.98 -32.06 73.6 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.805 -0.559 . . . . 0.0 109.877 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.56 -38.59 65.16 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.062 -1.024 . . . . 0.0 109.207 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.4 m -69.23 -36.47 77.25 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 109.682 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HB2' HD13 ' A' ' 17' ' ' LEU . 17.4 tp10 -73.2 -36.07 66.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.302 -0.873 . . . . 0.0 109.157 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.533 ' CD2' HG21 ' A' ' 60' ' ' ILE . 64.3 mt -66.7 -40.37 88.45 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.488 -0.758 . . . . 0.0 109.257 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -72.68 -38.63 67.53 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.472 -0.768 . . . . 0.0 110.426 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -66.92 -48.25 69.24 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.11 -0.994 . . . . 0.0 109.8 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.48 -26.67 68.54 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.422 ' HG ' HG23 ' A' ' 60' ' ' ILE . 14.2 mt -66.92 -50.68 61.61 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.533 -0.73 . . . . 0.0 109.223 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.34 -38.35 73.97 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.642 -0.662 . . . . 0.0 109.582 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.99 -45.73 84.38 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.71 -26.46 68.69 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.144 0.497 . . . . 0.0 109.712 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 100' ' ' ILE . 86.1 tt0 -81.32 -33.02 32.81 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 121.503 -0.748 . . . . 0.0 110.012 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.82 -46.64 67.82 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.427 -0.795 . . . . 0.0 109.654 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.566 ' CB ' HD11 ' A' ' 53' ' ' ILE . 72.8 m -59.12 -47.31 85.73 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.3 -42.7 91.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 121.65 -0.657 . . . . 0.0 110.338 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 96' ' ' GLU . 86.9 mt -57.86 -53.03 50.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 O-C-N 121.379 -0.826 . . . . 0.0 109.261 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -76.19 171.15 14.99 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.02 -39.07 96.15 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.54 HG22 ' HB2' ' A' ' 1' ' ' CYS . 0.5 OUTLIER -58.4 105.1 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 O-C-N 121.724 -0.868 . . . . 0.0 110.012 179.536 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 134.47 -90.93 0.24 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -86.36 150.56 3.83 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 O-C-N 121.589 -0.947 . . . . 0.0 109.524 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.7 t -168.06 -154.19 0.14 Allowed 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.454 -0.779 . . . . 0.0 109.486 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 108' ' ' THR . 97.6 mt-10 -51.61 -20.21 1.89 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.675 -0.641 . . . . 0.0 111.397 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.491 ' C ' ' O ' ' A' ' 107' ' ' GLU . 58.5 m -19.01 127.25 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 123.11 0.564 . . . . 0.0 112.122 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.486 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 37.7 Cg_endo -65.06 174.31 4.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 O-C-N 124.047 1.551 . . . . 0.0 111.483 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.4 mt -44.86 -20.2 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.859 0 O-C-N 122.102 -0.374 . . . . 0.0 111.916 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.486 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 18.9 ptm -49.81 -29.35 7.74 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.155 -0.966 . . . . 0.0 109.987 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.545 ' HE3' ' HG3' ' A' ' 54' ' ' PRO . 80.7 tttt -55.0 -42.09 72.06 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.617 -0.677 . . . . 0.0 109.608 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -85.81 -31.68 22.18 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 121.416 -0.803 . . . . 0.0 109.604 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 111' ' ' MET . 55.1 m-20 -61.43 -34.74 75.9 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.266 -0.896 . . . . 0.0 109.608 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.402 ' HB2' HG23 ' A' ' 55' ' ' VAL . 3.3 p -65.8 -46.9 76.94 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.341 -0.849 . . . . 0.0 108.878 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.736 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.0 mt -64.51 -31.58 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.941 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 22.6 mt -69.39 -30.39 68.36 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.697 -0.627 . . . . 0.0 109.424 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.85 -48.92 67.33 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.27 -28.28 43.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -67.37 -43.23 81.91 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.291 -0.881 . . . . 0.0 109.85 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -29.24 65.48 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.388 -0.82 . . . . 0.0 109.179 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.518 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 72.7 t80 -65.96 -50.98 62.41 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.567 -0.708 . . . . 0.0 109.225 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -69.06 -27.37 65.58 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.783 -0.573 . . . . 0.0 110.171 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -63.74 -42.55 97.85 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -66.04 -41.79 90.4 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 36' ' ' PHE . 66.1 mt -57.59 -38.5 64.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.1 m -64.68 -42.0 95.67 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.54 -0.725 . . . . 0.0 109.552 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -37.99 88.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.54 -0.725 . . . . 0.0 109.353 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.422 ' CG ' ' HE1' ' A' ' 36' ' ' PHE . 39.2 t80 -61.3 -39.04 88.99 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.544 -0.722 . . . . 0.0 109.347 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 44.1 mt -66.03 -41.0 91.51 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.719 -0.613 . . . . 0.0 109.377 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -70.69 -27.35 63.94 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 109.825 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.78 -48.69 52.95 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.366 -0.834 . . . . 0.0 109.599 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.7 mptt -82.05 3.73 25.67 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.656 -0.652 . . . . 0.0 109.711 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 61.75 35.78 16.63 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.386 -0.821 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.466 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 69.8 m-85 59.61 49.36 8.47 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.539 -0.726 . . . . 0.0 109.685 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.543 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.8 m -76.75 163.97 62.31 Favored Pre-proline 0 C--O 1.218 -0.602 0 O-C-N 121.476 -0.765 . . . . 0.0 109.286 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.2 Cg_endo -68.16 -40.03 9.44 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 O-C-N 123.78 1.411 . . . . 0.0 111.07 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -70.3 -35.41 73.67 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.489 -0.757 . . . . 0.0 109.384 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.26 -38.1 89.86 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.539 -0.726 . . . . 0.0 109.074 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 36.9 m95 -73.8 -33.32 64.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.448 -0.783 . . . . 0.0 109.702 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.489 ' HB2' HD13 ' A' ' 24' ' ' ILE . 34.8 tp10 -63.31 -41.32 98.92 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 33' ' ' ARG . 56.7 t -65.3 -45.18 94.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 147' ' ' ILE . 59.4 t -65.3 -24.18 34.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -65.11 -52.56 54.68 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.499 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.24 -32.24 73.75 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.773 -0.579 . . . . 0.0 109.807 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.55 -36.14 76.06 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 121.591 -0.693 . . . . 0.0 109.906 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 143' ' ' VAL . 30.5 mm -76.79 -34.99 23.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 121.186 -0.947 . . . . 0.0 109.484 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.513 ' HG3' HD21 ' A' ' 15' ' ' LEU . 29.4 ttm -66.98 -47.19 72.32 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.38 -0.825 . . . . 0.0 109.601 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 3.5 mmt180 -72.35 -40.25 67.51 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.702 -0.624 . . . . 0.0 110.575 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 74.9 m -66.58 -43.9 83.68 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.705 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.447 ' HD2' ' HG ' ' A' ' 15' ' ' LEU . 29.8 t80 -67.14 -36.18 81.31 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.581 -0.699 . . . . 0.0 109.371 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -71.41 -30.23 65.83 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.513 -0.742 . . . . 0.0 109.28 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 149' ' ' ARG . 48.4 mt -69.38 -46.12 67.67 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.577 -0.702 . . . . 0.0 109.331 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 18.8 m -66.71 -42.49 86.29 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.762 -0.586 . . . . 0.0 109.681 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 81.9 p -79.24 -8.94 59.42 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.573 -0.704 . . . . 0.0 110.746 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -61.84 -22.26 65.35 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.064 -1.023 . . . . 0.0 109.375 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 157' ' ' LEU . 3.4 mm? -78.0 -10.5 59.63 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.401 -0.812 . . . . 0.0 110.025 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.81 -42.6 97.65 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 120.975 -1.078 . . . . 0.0 108.91 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 160' ' ' SER . 7.1 mm-40 -98.19 -2.31 40.11 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.503 -0.748 . . . . 0.0 110.427 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.545 ' C ' ' O ' ' A' ' 159' ' ' GLU . 22.5 m 3.17 83.74 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.634 0.774 . . . . 0.0 112.104 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.5 mp -76.65 67.98 2.85 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -85.65 -32.52 21.95 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.499 -0.751 . . . . 0.0 109.487 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.1 t -73.93 147.81 42.77 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.419 -0.801 . . . . 0.0 109.361 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -146.76 71.61 1.24 Allowed 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.576 -0.703 . . . . 0.0 109.346 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.889 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.597 0.713 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -100.63 71.5 1.5 Allowed 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.449 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.5 mm? -68.61 -55.22 11.96 Favored Pre-proline 0 C--O 1.216 -0.681 0 O-C-N 121.367 -0.833 . . . . 0.0 109.164 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 47.7 Cg_endo -74.17 105.8 2.1 Favored 'Trans proline' 0 C--N 1.356 0.932 0 O-C-N 123.441 1.232 . . . . 0.0 109.989 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -94.55 83.76 4.18 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.441 -0.787 . . . . 0.0 108.995 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -117.86 -75.1 0.58 Allowed 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.57 -0.706 . . . . 0.0 109.55 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -107.39 174.08 6.04 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.33 -0.856 . . . . 0.0 109.687 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -143.1 100.58 3.66 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 6.9 mp -111.48 -27.71 8.49 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 121.609 -0.682 . . . . 0.0 110.175 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.35 -38.65 3.9 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p -95.8 -31.98 12.91 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.19 -1.182 . . . . 0.0 110.255 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -68.37 -46.51 69.87 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.286 -0.884 . . . . 0.0 110.566 -178.661 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.621 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 13.5 ptm180 -74.79 -28.16 60.61 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 m -73.0 -41.5 64.22 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.253 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.461 HD23 ' HB3' ' A' ' 151' ' ' PHE . 56.3 mt -70.59 -40.06 73.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.528 -0.732 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.556 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -63.58 -31.5 72.68 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.003 -1.061 . . . . 0.0 109.066 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 13' ' ' ARG . 53.9 mt -63.39 -45.15 92.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.508 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 63.3 mt -58.99 -30.1 67.71 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.796 -0.565 . . . . 0.0 109.695 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.42 52.58 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.097 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -70.7 -31.97 69.03 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.291 -0.881 . . . . 0.0 110.526 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.615 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 ptp -72.34 -7.79 51.48 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.189 -0.944 . . . . 0.0 110.821 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.88 117.0 4.51 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 120.813 -1.179 . . . . 0.0 110.152 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.615 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.9 mptp? -91.27 -37.21 13.44 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.511 -0.743 . . . . 0.0 109.058 178.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.52 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 3.0 pt -125.81 171.02 15.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-O 121.464 0.65 . . . . 0.0 109.708 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -91.21 151.61 20.87 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.88 -27.84 69.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 109.102 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -67.93 -36.9 80.94 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.42 -0.8 . . . . 0.0 109.363 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -64.62 -23.27 67.21 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.238 -0.914 . . . . 0.0 108.577 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 87.1 m -117.26 55.36 0.85 Allowed 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.672 -0.642 . . . . 0.0 110.282 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD22 ' HD2' ' A' ' 33' ' ' ARG . 35.3 mt -86.98 4.18 42.8 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.07 -1.019 . . . . 0.0 109.952 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -95.94 -23.71 16.73 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.884 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -115.23 28.12 8.91 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.328 -0.858 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HA ' HG23 ' A' ' 142' ' ' VAL . 16.3 ptm180 -105.12 123.5 47.93 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.803 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -149.08 145.59 27.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.27 115.14 5.28 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 37.9 m-85 -69.56 -49.71 51.71 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.561 -0.712 . . . . 0.0 109.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.1 53.71 0.22 Allowed Glycine 0 C--O 1.217 -0.917 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 86.2 t80 -69.18 127.04 93.14 Favored Pre-proline 0 C--O 1.217 -0.648 0 O-C-N 121.492 -1.005 . . . . 0.0 108.929 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 55.2 Cg_endo -81.54 67.41 8.41 Favored 'Trans proline' 0 C--N 1.351 0.666 0 O-C-N 123.823 1.433 . . . . 0.0 111.531 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' OE1' ' HB3' ' A' ' 153' ' ' LEU . 42.1 tp60 -73.56 -18.05 61.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.239 -0.913 . . . . 0.0 109.371 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.98 -30.88 68.28 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.261 -0.9 . . . . 0.0 109.259 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -98.97 35.91 1.79 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.404 -0.81 . . . . 0.0 109.003 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.464 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 7.0 m-85 -140.23 27.94 2.1 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.401 -0.812 . . . . 0.0 109.01 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -122.77 -94.63 1.2 Allowed Glycine 0 C--O 1.217 -0.926 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 7.1 m120 -62.57 134.45 56.39 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.768 -0.843 . . . . 0.0 109.557 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 22.5 mt-30 70.17 30.87 3.36 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.85 -0.531 . . . . 0.0 110.134 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 75.4 m-85 -143.92 33.71 1.25 Allowed 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.273 -0.892 . . . . 0.0 109.682 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -136.17 165.5 25.59 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.321 -0.862 . . . . 0.0 109.563 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 59.45 55.33 4.21 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.505 -0.747 . . . . 0.0 109.433 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.528 ' HB2' ' HA2' ' A' ' 104' ' ' GLY . . . 60.93 72.26 0.53 Allowed 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.607 -0.683 . . . . 0.0 109.799 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -142.92 -48.05 0.32 Allowed 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.354 -0.841 . . . . 0.0 109.626 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.594 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 10.2 t -89.06 15.14 9.16 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.621 -0.674 . . . . 0.0 109.787 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.629 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 62.6 mt -57.21 -43.86 99.41 Favored Pre-proline 0 C--O 1.214 -0.798 0 O-C-N 121.285 -0.884 . . . . 0.0 110.84 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -64.44 -32.85 59.46 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 123.112 1.059 . . . . 0.0 110.641 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.54 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.6 t -73.7 -38.56 51.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.579 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 71.8 mt -68.42 -25.43 65.02 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.568 -0.707 . . . . 0.0 109.109 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.581 ' HA ' HD11 ' A' ' 95' ' ' LEU . 59.4 t-80 -71.35 -50.79 28.69 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.328 -0.857 . . . . 0.0 109.407 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.518 ' HG2' ' CG2' ' A' ' 116' ' ' ILE . 15.8 tp10 -73.14 -27.91 61.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.119 -0.988 . . . . 0.0 109.881 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.425 ' HG3' HG12 ' A' ' 119' ' ' VAL . 18.1 ttt -70.69 -47.16 61.3 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.424 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 88' ' ' LEU . 9.5 mt -70.34 -24.14 25.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.429 -0.794 . . . . 0.0 109.019 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' HA ' HD12 ' A' ' 92' ' ' LEU . 3.2 tm0? -70.67 -40.11 73.16 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.35 -37.93 86.47 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.616 -0.677 . . . . 0.0 109.295 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.457 HG22 ' CE1' ' A' ' 67' ' ' PHE . 76.1 mt -70.86 -28.76 34.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.521 ' HA ' HD11 ' A' ' 88' ' ' LEU . 18.9 t80 -64.03 -51.92 61.9 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.375 -0.828 . . . . 0.0 109.555 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.53 -32.37 62.45 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.781 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.4 -31.76 73.01 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.315 -0.866 . . . . 0.0 109.288 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.457 ' CE1' HG22 ' A' ' 63' ' ' ILE . 23.0 m-85 -100.6 -11.59 19.93 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.581 -0.7 . . . . 0.0 110.101 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 t -91.78 -13.68 31.11 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.194 -0.941 . . . . 0.0 109.743 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.1 p -57.16 151.63 15.13 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.295 -0.878 . . . . 0.0 110.005 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.99 -24.83 67.87 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.585 -0.697 . . . . 0.0 109.679 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 45.6 m-20 -75.99 -38.75 57.05 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.44 -0.788 . . . . 0.0 109.289 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.486 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 88.3 p -78.06 -32.97 51.1 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.668 -0.645 . . . . 0.0 109.947 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.2 t -65.77 -34.01 77.19 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.557 -0.714 . . . . 0.0 109.443 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.27 -25.64 31.42 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.95 -35.91 77.32 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.518 -0.739 . . . . 0.0 110.141 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.448 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 65.8 m95 -116.75 170.41 8.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.689 -0.632 . . . . 0.0 109.813 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.41 134.13 52.81 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.212 -0.91 0 O-C-N 121.543 -0.723 . . . . 0.0 110.193 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -78.71 -44.58 23.19 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.136 -0.977 . . . . 0.0 108.937 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.19 -35.29 78.41 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 85' ' ' TYR . 10.7 mt -75.24 -32.51 61.13 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 39.1 m-20 -55.92 -49.85 72.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.42 -39.7 94.34 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.443 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 16.9 t80 -61.95 -26.46 68.21 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 121.739 -0.601 . . . . 0.0 109.875 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.9 m-85 -76.12 -41.02 51.44 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.096 -1.002 . . . . 0.0 109.083 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.0 m -69.37 -32.9 72.25 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.642 -0.661 . . . . 0.0 109.614 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.621 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -74.64 -35.3 62.87 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.285 -0.885 . . . . 0.0 109.643 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 64' ' ' PHE . 74.8 mt -71.22 -41.27 70.43 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.496 -0.753 . . . . 0.0 109.599 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.5 t80 -77.34 -27.11 52.65 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.557 -0.714 . . . . 0.0 110.171 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.94 -49.91 47.15 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.168 -0.957 . . . . 0.0 108.681 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.516 ' HG3' HD13 ' A' ' 95' ' ' LEU . 62.2 tp60 -67.2 -31.95 72.67 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 12.2 mt -66.64 -35.01 79.15 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.498 -0.752 . . . . 0.0 109.693 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -69.42 -42.36 75.13 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.394 -0.816 . . . . 0.0 109.459 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -35.11 74.06 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.492 -0.755 . . . . 0.0 109.582 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.581 HD11 ' HA ' ' A' ' 57' ' ' HIS . 69.3 mt -65.59 -39.68 91.86 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.615 -0.678 . . . . 0.0 109.68 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -73.22 -39.05 65.84 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.502 -0.749 . . . . 0.0 109.287 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.78 -40.12 79.07 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.567 ' SG ' HD12 ' A' ' 53' ' ' ILE . 91.1 m -61.24 -46.79 88.95 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.3 -43.12 97.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 O-C-N 121.839 -0.538 . . . . 0.0 110.252 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.0 -52.91 47.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 121.354 -0.841 . . . . 0.0 109.61 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.479 ' HB2' HG21 ' A' ' 103' ' ' VAL . 81.1 mm-40 -74.78 172.38 12.27 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.621 -0.674 . . . . 0.0 109.887 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.55 -32.89 71.43 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 101' ' ' GLN . 15.0 m -52.0 111.9 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 O-C-N 121.673 -0.898 . . . . 0.0 109.971 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.528 ' HA2' ' HB2' ' A' ' 50' ' ' ALA . . . 148.29 -143.78 11.5 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.88 138.15 51.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 O-C-N 121.382 -1.069 . . . . 0.0 109.642 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.44 130.8 0.36 Allowed 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.478 0.656 . . . . 0.0 109.524 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -160.51 -72.18 0.07 Allowed 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.59 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 7.4 t 179.42 54.6 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.59 ' HD3' ' N ' ' A' ' 108' ' ' THR . 50.5 Cg_endo -94.6 132.44 0.64 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 O-C-N 123.191 1.101 . . . . 0.0 111.455 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.31 -18.08 60.75 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.4 ptm -80.6 1.77 28.43 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.595 -0.691 . . . . 0.0 110.568 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -55.94 -34.33 65.54 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.047 -1.033 . . . . 0.0 109.42 179.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.415 ' HB2' ' HE2' ' A' ' 112' ' ' LYS . 11.5 tp10 -102.61 -20.88 14.27 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 121.519 -0.738 . . . . 0.0 109.503 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -59.41 -41.86 90.45 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 121.228 -0.92 . . . . 0.0 109.788 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.47 ' HB2' HG23 ' A' ' 55' ' ' VAL . 21.6 p -63.14 -50.67 69.51 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.38 -0.825 . . . . 0.0 109.514 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.54 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.3 mt -66.5 -35.8 75.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 O-C-N 121.7 -0.625 . . . . 0.0 109.449 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.9 -35.51 80.89 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.55 72.21 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.425 HG12 ' HG3' ' A' ' 59' ' ' MET . 67.9 t -63.35 -28.62 45.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' A' ' 120' ' ' ARG . 5.2 tmm_? -64.76 -48.14 75.65 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.272 -0.893 . . . . 0.0 109.121 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 121' ' ' LYS . 12.7 tmtt? -63.51 -35.76 81.53 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.538 -0.726 . . . . 0.0 109.321 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.495 ' O ' HG13 ' A' ' 126' ' ' ILE . 67.2 t80 -61.03 -53.37 57.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.607 -0.683 . . . . 0.0 109.576 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -70.44 -22.32 62.71 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.673 -0.642 . . . . 0.0 110.404 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.77 -40.67 88.3 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.08 -36.2 77.35 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.545 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 59.4 mt -65.67 -36.45 77.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.8 m -68.56 -42.06 78.86 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.43 -33.82 73.54 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.432 -0.793 . . . . 0.0 109.272 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.424 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 11.4 t80 -62.95 -38.47 91.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 109.196 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.0 mt -68.26 -42.87 78.98 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -69.26 -23.44 63.85 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.304 -0.873 . . . . 0.0 109.871 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.34 -48.94 25.02 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.342 -0.849 . . . . 0.0 109.187 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 136' ' ' SER . 14.6 mptt -83.43 3.89 30.0 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.701 -0.624 . . . . 0.0 109.709 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 59.04 43.6 17.37 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.499 -0.751 . . . . 0.0 109.659 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.6 m-85 58.22 49.38 11.31 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.619 0.723 . . . . 0.0 109.499 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.481 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.6 t -75.81 151.54 84.54 Favored Pre-proline 0 C--O 1.217 -0.654 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.481 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.7 Cg_endo -63.53 -29.32 70.61 Favored 'Trans proline' 0 C--N 1.351 0.71 0 O-C-N 123.693 1.365 . . . . 0.0 110.913 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.31 -39.07 49.19 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.406 -0.809 . . . . 0.0 108.882 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.72 92.19 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.486 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 23.0 m95 -70.23 -34.22 72.6 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.546 -0.721 . . . . 0.0 109.536 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -64.45 -43.59 93.77 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.44 -0.788 . . . . 0.0 109.205 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 33' ' ' ARG . 75.8 t -66.76 -41.54 88.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.437 HG11 HG22 ' A' ' 126' ' ' ILE . 88.5 t -68.0 -24.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.668 -0.645 . . . . 0.0 109.262 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.448 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 35.8 ttp85 -69.04 -48.68 62.28 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.246 -0.909 . . . . 0.0 108.746 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.51 -30.21 68.98 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.406 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 41.3 mm-40 -73.63 -33.81 64.71 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.553 -0.717 . . . . 0.0 109.878 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.7 mm -77.61 -33.47 19.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.454 ' HA ' HD11 ' A' ' 18' ' ' LEU . 26.2 ttm -72.52 -38.66 68.0 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -70.58 -46.69 62.99 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 121.62 -0.675 . . . . 0.0 109.264 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.447 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 80.6 p -62.0 -41.37 97.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.837 -0.539 . . . . 0.0 109.737 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.461 ' HB3' HD23 ' A' ' 15' ' ' LEU . 31.4 t80 -66.29 -41.92 89.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.461 -0.774 . . . . 0.0 109.404 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.3 m -65.94 -34.55 78.37 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.474 -0.766 . . . . 0.0 109.45 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.415 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . 52.5 mt -68.01 -38.76 82.97 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.608 -0.683 . . . . 0.0 109.383 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.579 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.1 m -74.17 -27.26 60.74 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.216 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.8 p -101.02 0.66 38.48 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.354 -0.841 . . . . 0.0 110.777 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -3.53 32.71 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 109.709 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 47' ' ' PHE . 4.3 mm? -60.35 -38.66 84.54 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.038 -1.039 . . . . 0.0 109.136 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -106.82 -27.81 10.51 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.542 -0.724 . . . . 0.0 109.591 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -75.49 -20.88 58.48 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.309 -0.87 . . . . 0.0 110.323 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 10.5 t -101.39 40.68 1.27 Allowed 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.433 -0.792 . . . . 0.0 109.529 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.68 -44.31 94.1 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -149.47 -51.76 0.15 Allowed 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 39.2 t -93.36 114.04 26.37 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.427 -0.796 . . . . 0.0 108.982 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.55 38.7 1.74 Allowed 'General case' 0 C--O 1.22 -0.488 0 O-C-N 121.538 -0.726 . . . . 0.0 109.542 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.222 -0.362 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.287 179.932 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.465 ' HB2' HG23 ' A' ' 103' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.776 0.798 . . . . 0.0 109.784 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -145.89 101.1 3.5 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.487 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.4 mm? -67.59 -56.08 13.03 Favored Pre-proline 0 C--O 1.217 -0.642 0 O-C-N 121.384 -0.822 . . . . 0.0 109.387 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.9 Cg_endo -73.83 101.93 1.45 Allowed 'Trans proline' 0 C--N 1.354 0.827 0 O-C-N 123.623 1.328 . . . . 0.0 109.968 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -101.16 82.61 2.37 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.481 -0.762 . . . . 0.0 109.579 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.1 p -100.16 38.86 1.41 Allowed 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.441 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -108.18 -173.09 2.19 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.39 -0.819 . . . . 0.0 109.436 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.5 t -76.14 175.2 9.18 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.354 -0.841 . . . . 0.0 109.484 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.05 122.52 24.36 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.295 -0.878 . . . . 0.0 109.273 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.94 -43.14 11.36 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.458 ' HB2' HG23 ' A' ' 155' ' ' THR . 29.5 t -68.62 -27.68 66.24 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.532 -0.981 . . . . 0.0 109.907 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -66.42 -37.77 85.95 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.305 -0.872 . . . . 0.0 109.413 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -74.18 -37.86 63.82 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.481 -0.762 . . . . 0.0 109.586 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.405 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 41.1 m -64.34 -43.07 95.76 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.443 -0.786 . . . . 0.0 109.113 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HG ' ' HD2' ' A' ' 151' ' ' PHE . 80.6 mt -72.29 -29.98 64.38 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.557 -0.715 . . . . 0.0 109.273 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.79 -39.16 93.58 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 84' ' ' PHE . 95.4 mt -61.98 -43.41 98.89 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD22 ' CZ ' ' A' ' 84' ' ' PHE . 64.2 mt -59.19 -38.21 79.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.945 -0.472 . . . . 0.0 110.039 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.39 93.18 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.44 -0.787 . . . . 0.0 109.615 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.44 -32.84 72.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.415 -0.803 . . . . 0.0 109.843 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.438 ' HG3' ' HB3' ' A' ' 80' ' ' LEU . 18.5 mtp -66.67 -30.18 70.37 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.457 -0.777 . . . . 0.0 110.28 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -48.93 116.59 1.71 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.541 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 2.0 pttp -101.57 -36.57 8.73 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.44 HG13 ' HG2' ' A' ' 141' ' ' GLU . 3.2 pt -114.53 170.49 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-O 121.538 0.685 . . . . 0.0 109.897 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -96.81 145.28 25.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.22 -33.23 73.14 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.514 -0.741 . . . . 0.0 109.014 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -66.98 -38.6 86.34 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.468 -0.77 . . . . 0.0 108.972 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.2 m -64.75 -29.93 70.92 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.032 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.6 m -113.78 55.87 0.71 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.63 -0.669 . . . . 0.0 109.823 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.54 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 46.6 mt -82.12 7.6 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.942 -1.099 . . . . 0.0 110.334 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -71.69 -35.44 70.25 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.208 -0.933 . . . . 0.0 108.742 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.547 ' HB2' HG22 ' A' ' 142' ' ' VAL . 44.2 m-20 -114.87 30.11 7.57 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -74.91 116.03 15.17 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.427 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' CE1' ' CZ ' ' A' ' 129' ' ' TYR . 28.8 p-80 -176.11 163.47 2.64 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.651 -0.655 . . . . 0.0 109.46 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -93.97 124.72 38.16 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 21.3 m-85 -60.79 -36.95 80.31 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.08 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.19 52.99 0.36 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.1 t80 -62.18 128.75 91.45 Favored Pre-proline 0 C--O 1.216 -0.668 0 O-C-N 121.689 -0.889 . . . . 0.0 108.946 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.9 Cg_endo -76.8 65.96 7.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 O-C-N 123.822 1.433 . . . . 0.0 110.695 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -72.82 -14.51 61.53 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -59.07 -27.93 65.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 5.1 tp10 -99.16 29.25 3.99 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.532 -0.73 . . . . 0.0 109.067 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.512 ' CZ ' HG12 ' A' ' 55' ' ' VAL . 32.2 m-85 -143.74 37.33 1.32 Allowed 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.364 -0.835 . . . . 0.0 108.896 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -159.11 34.54 0.48 Allowed Glycine 0 C--O 1.216 -0.986 0 C-N-CA 119.838 -1.172 . . . . 0.0 110.46 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -167.87 112.85 0.67 Allowed 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.56 -0.965 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 60.37 23.65 13.17 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.499 -0.751 . . . . 0.0 109.515 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 39.9 m-85 -115.44 35.49 4.37 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.32 -0.862 . . . . 0.0 109.233 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -133.48 154.07 51.1 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.294 -0.879 . . . . 0.0 109.593 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp 67.46 73.93 0.32 Allowed 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . . . 55.01 52.91 11.06 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.68 -0.637 . . . . 0.0 110.159 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -127.31 -55.08 1.35 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.875 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.572 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 11.5 t -95.38 7.12 47.15 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.682 -0.636 . . . . 0.0 110.107 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.613 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 31.9 mt -53.38 -45.65 98.37 Favored Pre-proline 0 C--O 1.215 -0.73 0 O-C-N 121.108 -0.995 . . . . 0.0 110.586 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.93 -32.24 54.95 Favored 'Trans proline' 0 C--N 1.356 0.973 0 O-C-N 123.316 1.167 . . . . 0.0 110.633 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.725 ' HA ' HG12 ' A' ' 116' ' ' ILE . 76.7 t -71.74 -46.03 63.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.586 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 47.3 mt -59.86 -32.15 70.43 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' HD21 ' A' ' 92' ' ' LEU . 60.3 t-80 -65.17 -53.16 49.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.685 -0.634 . . . . 0.0 109.738 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 116' ' ' ILE . 21.6 mt-10 -70.25 -23.58 62.93 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.067 -1.021 . . . . 0.0 110.29 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.572 ' HG3' HG12 ' A' ' 119' ' ' VAL . 3.2 ttt -70.88 -45.54 64.18 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.191 -0.943 . . . . 0.0 108.744 178.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.572 HG21 ' CD2' ' A' ' 88' ' ' LEU . 30.1 mt -71.41 -25.31 24.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 121.524 -0.735 . . . . 0.0 109.484 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -72.09 -35.92 69.35 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -70.18 -39.47 75.23 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 147' ' ' ILE . 83.2 mt -68.56 -31.55 51.56 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.448 ' HA ' HD11 ' A' ' 88' ' ' LEU . 25.9 t80 -62.04 -48.93 78.05 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.722 -0.611 . . . . 0.0 109.746 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -76.84 -33.68 57.9 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.2 tp -63.06 -31.91 73.16 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.314 -0.866 . . . . 0.0 109.235 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.45 ' CE1' HG21 ' A' ' 63' ' ' ILE . 10.5 m-85 -94.53 -24.19 17.37 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.685 -0.635 . . . . 0.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -80.8 -13.21 59.16 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.855 . . . . 0.0 110.473 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 p -58.4 150.1 23.18 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.179 -0.95 . . . . 0.0 110.065 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.98 -22.48 62.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.759 -0.588 . . . . 0.0 110.006 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -78.38 -43.5 27.39 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.355 -0.841 . . . . 0.0 109.591 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.403 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 18.6 t -75.58 -30.84 59.75 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.405 -0.81 . . . . 0.0 109.593 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.1 m -65.54 -35.51 81.08 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.523 -0.736 . . . . 0.0 109.48 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.12 -24.9 34.88 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.58 73.29 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.475 -0.766 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.541 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 68.7 m95 -113.49 171.41 7.58 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.535 -0.728 . . . . 0.0 109.997 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -69.32 136.06 51.28 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.03 -28.33 68.78 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.588 -0.695 . . . . 0.0 110.598 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -78.1 -43.87 27.78 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.908 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.438 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 83.0 mt -64.34 -37.28 86.96 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.0 mt -72.51 -31.66 65.52 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -57.58 -54.33 48.12 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.81 -33.06 73.44 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.618 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 18.3 t80 -65.42 -34.41 78.23 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.771 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -71.4 -32.83 68.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 120.983 -1.073 . . . . 0.0 108.99 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -71.25 -40.66 70.87 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.507 -0.745 . . . . 0.0 109.619 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -73.4 -28.22 61.89 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.3 -0.875 . . . . 0.0 109.553 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.572 ' CD2' HG21 ' A' ' 60' ' ' ILE . 76.4 mt -73.61 -41.14 63.21 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.355 -0.84 . . . . 0.0 109.284 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -77.08 -29.97 55.25 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -73.76 -47.49 38.62 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.303 -0.873 . . . . 0.0 108.893 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.08 -29.66 70.79 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' A' ' 57' ' ' HIS . 12.3 mt -67.99 -49.06 63.84 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.504 -0.747 . . . . 0.0 109.084 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -56.3 -38.51 71.35 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.703 -0.623 . . . . 0.0 109.693 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -67.74 -46.79 71.12 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.65 -22.82 67.07 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.887 -0.508 . . . . 0.0 110.323 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.524 ' HG2' HG13 ' A' ' 100' ' ' ILE . 23.8 tt0 -90.39 -24.63 20.73 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.234 -0.916 . . . . 0.0 110.149 -179.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 1' ' ' CYS . . . -51.46 -41.99 61.27 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.289 -0.882 . . . . 0.0 110.327 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.7 m -71.08 -36.65 72.32 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.469 -0.769 . . . . 0.0 109.711 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.87 -29.02 25.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 121.536 -0.728 . . . . 0.0 110.462 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.524 HG13 ' HG2' ' A' ' 96' ' ' GLU . 97.0 mt -70.85 -59.27 3.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 O-C-N 121.284 -0.885 . . . . 0.0 109.853 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -78.04 176.0 9.58 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 121.369 0.604 . . . . 0.0 110.363 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -89.38 49.16 3.44 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 1' ' ' CYS . 10.4 t -72.76 165.51 3.01 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 O-C-N 121.628 -0.924 . . . . 0.0 108.823 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -69.91 83.83 0.3 Allowed Glycine 0 CA--C 1.531 1.073 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.6 t -121.97 24.46 4.18 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 O-C-N 121.749 -0.854 . . . . 0.0 109.193 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 20.9 p -119.67 114.57 22.39 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.153 -0.967 . . . . 0.0 109.454 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 106' ' ' THR . 39.1 mt-10 -157.25 -51.99 0.07 Allowed 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 59.2 p -71.58 157.27 90.17 Favored Pre-proline 0 C--O 1.217 -0.646 0 O-C-N 121.646 -0.659 . . . . 0.0 110.205 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.64 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 41.7 Cg_endo -70.26 175.85 7.95 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 O-C-N 124.416 1.745 . . . . 0.0 110.787 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -48.39 -9.83 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.64 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 10.6 ptm -66.54 4.67 0.72 Allowed 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.77 -1.206 . . . . 0.0 111.195 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.478 ' CE ' ' HB2' ' A' ' 54' ' ' PRO . 14.2 tmtt? -52.09 -39.44 59.76 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.031 -1.043 . . . . 0.0 109.625 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 32.1 tt0 -73.74 -26.54 60.73 Favored 'General case' 0 C--O 1.211 -0.943 0 O-C-N 121.233 -0.917 . . . . 0.0 109.489 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -63.35 -39.31 94.19 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.487 -0.758 . . . . 0.0 110.286 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 p -63.0 -44.9 94.74 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.13 -0.981 . . . . 0.0 109.061 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.725 HG12 ' HA ' ' A' ' 55' ' ' VAL . 68.5 mt -71.08 -30.83 42.71 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 109.144 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 1.8 tt -67.72 -29.78 69.11 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.45 -45.51 68.89 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.572 HG12 ' HG3' ' A' ' 59' ' ' MET . 49.2 t -67.56 -23.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -70.9 -50.24 37.15 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -66.31 -24.78 66.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.508 -0.745 . . . . 0.0 109.139 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 126' ' ' ILE . 31.2 t80 -69.66 -50.05 47.79 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -69.56 -24.23 63.67 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.794 -0.566 . . . . 0.0 109.835 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -66.41 -41.08 89.81 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.41 -38.3 90.63 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.53 HG22 HG23 ' A' ' 143' ' ' VAL . 62.3 mt -63.35 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.44 HG23 ' HE2' ' A' ' 131' ' ' LYS . 12.9 m -65.93 -37.07 85.09 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.589 -0.695 . . . . 0.0 109.396 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 tp -65.76 -43.11 89.86 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 121.554 -0.716 . . . . 0.0 109.208 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.424 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -62.5 -32.83 73.8 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.667 -0.646 . . . . 0.0 109.808 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.415 ' HB3' ' CE1' ' A' ' 135' ' ' TYR . 44.1 mt -73.81 -34.11 64.46 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.522 -0.736 . . . . 0.0 109.639 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.44 ' HE2' HG23 ' A' ' 127' ' ' THR . 54.7 mtmt -81.64 -19.93 40.73 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.99 -1.068 . . . . 0.0 109.482 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -79.98 -47.87 14.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.367 -0.833 . . . . 0.0 109.144 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 5.5 mptp? -82.18 2.8 29.9 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.632 -0.667 . . . . 0.0 109.516 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 59.67 40.38 20.0 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.295 -0.878 . . . . 0.0 109.686 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 88.3 m-85 58.66 51.46 7.77 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.379 0.609 . . . . 0.0 110.06 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.486 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 11.4 m -80.69 163.06 58.1 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.469 -0.769 . . . . 0.0 109.516 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.4 Cg_endo -68.87 -36.16 14.05 Favored 'Trans proline' 0 C--N 1.349 0.597 0 O-C-N 123.765 1.403 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 16.6 m -68.55 -42.58 78.19 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.476 -0.765 . . . . 0.0 109.145 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.64 94.87 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.56 -0.713 . . . . 0.0 109.204 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 21.7 m95 -69.21 -38.24 78.46 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.517 -0.739 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.44 ' HG2' HG13 ' A' ' 24' ' ' ILE . 13.3 tp10 -65.69 -39.44 91.28 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.547 HG22 ' HB2' ' A' ' 32' ' ' ASP . 44.5 t -64.08 -38.91 83.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.69 ' HA ' ' HG2' ' A' ' 146' ' ' GLU . 87.7 t -74.05 -21.33 17.86 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.674 ' HA ' ' CZ ' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -67.38 -52.3 41.69 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.62 65.93 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.69 ' HG2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -75.74 -35.49 60.2 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.559 -0.713 . . . . 0.0 109.73 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.625 ' N ' ' HG3' ' A' ' 146' ' ' GLU . 22.0 mm -81.22 -31.44 11.74 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 121.371 -0.831 . . . . 0.0 109.276 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.405 ' CG ' ' HB3' ' A' ' 18' ' ' LEU . 47.1 mtp -70.17 -43.08 71.53 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -39.56 58.58 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.491 -0.756 . . . . 0.0 109.991 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 72.6 m -68.75 -38.81 80.39 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.447 -0.783 . . . . 0.0 109.978 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.442 ' HD2' ' HG ' ' A' ' 15' ' ' LEU . 28.6 t80 -69.21 -35.24 76.01 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 109.124 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.0 t -69.09 -38.86 79.21 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 47.4 mt -64.25 -39.27 93.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 3.7 m -70.63 -31.49 68.47 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.774 -0.579 . . . . 0.0 110.112 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 11' ' ' SER . 82.1 p -93.62 -0.37 56.18 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.317 -0.864 . . . . 0.0 110.062 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -82.81 0.87 41.89 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.101 -1.0 . . . . 0.0 110.104 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.486 ' HG ' HG23 ' A' ' 52' ' ' THR . 4.6 mm? -62.79 -18.17 62.31 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 120.958 -1.089 . . . . 0.0 110.03 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -53.07 -42.18 65.6 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.316 -0.865 . . . . 0.0 109.48 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -146.95 112.91 5.77 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.9 0.857 . . . . 0.0 108.713 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 59.2 m -112.44 79.97 1.28 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.19 82.46 6.24 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.566 -0.709 . . . . 0.0 109.331 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -125.89 59.54 1.3 Allowed 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 78.3 p -80.41 129.44 34.51 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.77 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -106.38 44.14 1.08 Allowed 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.329 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.73 0.776 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -91.11 76.85 6.08 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.574 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 4.3 mm? -67.36 -47.28 48.96 Favored Pre-proline 0 CA--C 1.541 0.625 0 O-C-N 121.586 -0.697 . . . . 0.0 110.203 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 40.6 Cg_endo -70.55 170.8 16.65 Favored 'Trans proline' 0 C--N 1.357 0.999 0 O-C-N 123.475 1.25 . . . . 0.0 111.344 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -80.3 76.45 7.09 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.5 p -125.52 56.35 1.38 Allowed 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 121.816 0.817 . . . . 0.0 108.852 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -96.61 170.04 9.47 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 121.363 0.602 . . . . 0.0 109.758 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.3 p -141.4 -154.92 0.54 Allowed 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.605 -0.684 . . . . 0.0 109.617 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -94.04 52.45 1.63 Allowed 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.304 -0.872 . . . . 0.0 109.802 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.07 -47.48 37.58 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -75.04 -36.11 61.87 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.632 -0.922 . . . . 0.0 109.666 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' HB2' ' HB2' ' A' ' 9' ' ' LEU . 77.4 mtm180 -65.22 -33.4 75.9 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.424 -0.798 . . . . 0.0 109.809 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -72.24 -40.92 67.37 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.28 -0.887 . . . . 0.0 109.055 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -61.15 -42.42 98.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.548 HD21 ' HG3' ' A' ' 148' ' ' MET . 92.2 mt -70.58 -30.9 67.71 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ttp -63.39 -34.81 78.55 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 84' ' ' PHE . 78.5 mt -64.51 -42.6 95.7 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' MET . 65.0 mt -59.58 -30.35 68.59 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 109.554 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.63 -34.58 65.06 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.296 -0.877 . . . . 0.0 109.44 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.05 -46.33 71.42 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.413 -0.805 . . . . 0.0 109.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.498 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.4 ptp -62.0 -26.03 67.99 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.467 -0.77 . . . . 0.0 110.317 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -49.76 110.83 0.42 Allowed 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.448 -0.782 . . . . 0.0 109.514 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 4.7 mtpp -94.02 -38.67 11.03 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.578 HG13 ' CG ' ' A' ' 141' ' ' GLU . 4.6 pt -111.94 167.13 5.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 121.526 0.679 . . . . 0.0 109.791 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.6 m -91.17 143.21 26.91 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' O ' HD11 ' A' ' 30' ' ' LEU . 63.9 tp -59.24 -37.62 78.01 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.748 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 94.2 m-85 -60.19 -41.73 93.56 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 t -58.76 -31.01 67.97 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 67.3 m -104.3 51.73 0.77 Allowed 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.701 -0.624 . . . . 0.0 109.788 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.748 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -86.81 12.24 11.39 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.328 -0.858 . . . . 0.0 110.063 179.288 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -103.66 -22.54 13.56 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.2 -0.937 . . . . 0.0 109.608 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -112.17 24.49 12.54 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HA ' HG23 ' A' ' 142' ' ' VAL . 55.8 mtp180 -78.01 101.92 7.15 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.945 -1.097 . . . . 0.0 110.076 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -130.22 117.51 19.98 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -72.51 138.87 47.25 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.502 -0.749 . . . . 0.0 109.461 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 44.9 m-85 -89.98 -44.79 9.63 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.31 72.71 0.5 Allowed Glycine 0 CA--C 1.532 1.143 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.1 t80 -69.98 131.93 88.81 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.513 -0.992 . . . . 0.0 109.042 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.8 Cg_endo -84.62 75.61 3.68 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 O-C-N 123.749 1.394 . . . . 0.0 111.195 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 41.4 tt0 -77.65 -15.87 58.91 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.215 -0.928 . . . . 0.0 109.358 178.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -57.63 -32.17 66.98 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.183 -0.948 . . . . 0.0 109.279 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.515 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.8 tp10 -97.34 40.1 1.17 Allowed 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.3 m-85 -142.08 -64.01 0.43 Allowed 'General case' 0 C--O 1.212 -0.903 0 O-C-N 121.311 -0.868 . . . . 0.0 109.06 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.46 ' HA2' HD12 ' A' ' 157' ' ' LEU . . . -71.65 -17.3 76.44 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 7.2 m120 -113.96 139.92 48.83 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.337 -1.096 . . . . 0.0 109.582 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 13.1 mp0 69.34 17.09 8.26 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.915 -0.491 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.503 ' CG ' HG21 ' A' ' 52' ' ' THR . 87.7 m-85 -147.04 125.71 12.55 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.172 -0.955 . . . . 0.0 108.751 178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -169.62 136.94 1.69 Allowed 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.446 -0.784 . . . . 0.0 109.503 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm 58.84 78.5 0.25 Allowed 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.653 -0.654 . . . . 0.0 109.902 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 60.76 76.49 0.37 Allowed 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.588 -0.695 . . . . 0.0 110.118 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG2' ' HB ' ' A' ' 105' ' ' VAL . 21.1 mt-10 -148.45 -47.59 0.15 Allowed 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.497 -0.752 . . . . 0.0 109.121 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 1.6 p -81.62 -6.06 58.64 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 121.762 -0.586 . . . . 0.0 109.878 178.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.559 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 58.7 mt -44.86 -49.22 28.74 Favored Pre-proline 0 C--O 1.215 -0.751 0 O-C-N 121.346 -0.847 . . . . 0.0 111.4 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.0 Cg_endo -64.08 -36.99 45.05 Favored 'Trans proline' 0 C--N 1.355 0.872 0 O-C-N 123.104 1.054 . . . . 0.0 110.608 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.665 ' HA ' HG12 ' A' ' 116' ' ' ILE . 38.9 t -70.11 -37.66 72.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.606 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 29.4 mt -67.9 -29.99 69.22 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -68.01 -50.58 54.69 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.534 -0.729 . . . . 0.0 109.464 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.607 ' HG2' HG22 ' A' ' 116' ' ' ILE . 16.3 tp10 -71.62 -29.12 64.3 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.155 -0.966 . . . . 0.0 109.778 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.462 ' HG3' HG12 ' A' ' 119' ' ' VAL . 3.9 ttt -66.18 -47.73 73.0 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.2 -0.937 . . . . 0.0 109.064 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.616 HG21 ' CD2' ' A' ' 88' ' ' LEU . 13.6 mt -67.87 -24.97 31.32 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 121.504 -0.747 . . . . 0.0 109.423 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -35.74 64.67 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -68.7 -39.27 80.59 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 121.54 -0.725 . . . . 0.0 109.217 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.505 HG22 ' CE1' ' A' ' 67' ' ' PHE . 77.5 mt -71.07 -33.78 52.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.445 ' HA ' HD11 ' A' ' 88' ' ' LEU . 54.5 t80 -59.6 -42.71 93.2 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.587 -0.696 . . . . 0.0 109.704 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -79.59 -42.41 25.05 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.616 -0.677 . . . . 0.0 109.908 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.5 tp -55.61 -32.45 63.13 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.468 -0.77 . . . . 0.0 109.518 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.505 ' CE1' HG22 ' A' ' 63' ' ' ILE . 16.2 m-85 -94.44 -27.95 15.75 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.493 -0.755 . . . . 0.0 109.891 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.7 t -74.27 -19.47 60.48 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.284 -0.885 . . . . 0.0 110.246 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.3 p -54.57 148.57 12.11 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.728 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -61.99 -22.09 65.39 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.568 -0.707 . . . . 0.0 110.08 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -75.76 -42.66 49.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.414 -0.804 . . . . 0.0 109.388 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.485 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.4 t -78.65 -30.7 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.495 -0.753 . . . . 0.0 109.835 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 74.2 m -64.44 -34.98 79.45 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.44 -0.788 . . . . 0.0 109.123 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.8 -25.52 30.35 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -68.24 -31.86 71.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.157 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.437 ' HB2' HD13 ' A' ' 81' ' ' LEU . 74.1 m95 -120.19 177.47 5.0 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.444 -0.785 . . . . 0.0 109.747 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.41 135.26 42.38 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.286 -0.884 . . . . 0.0 108.632 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -66.07 -27.79 68.34 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.412 -0.805 . . . . 0.0 110.566 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.8 m -78.38 -44.44 24.99 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.066 -1.021 . . . . 0.0 108.864 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.57 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 76' ' ' TRP . 11.4 mt -71.25 -32.87 69.26 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -55.69 -52.38 64.07 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.87 -33.21 75.19 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.575 ' HA ' HD12 ' A' ' 17' ' ' LEU . 19.3 t80 -64.64 -33.18 75.32 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.692 -0.63 . . . . 0.0 109.482 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -72.16 -37.91 69.27 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.326 -0.859 . . . . 0.0 109.367 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -68.33 -39.95 81.75 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.614 -0.679 . . . . 0.0 109.669 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.549 ' HG3' HD13 ' A' ' 17' ' ' LEU . 56.3 mm-40 -72.41 -31.81 65.82 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.283 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.616 ' CD2' HG21 ' A' ' 60' ' ' ILE . 55.0 mt -67.4 -43.08 82.16 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.497 -0.752 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.551 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -77.88 -24.76 48.35 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.361 -0.837 . . . . 0.0 110.127 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -68.37 -49.99 56.25 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -66.39 -27.94 68.24 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 19.9 mt -69.37 -36.38 76.77 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.457 -0.777 . . . . 0.0 109.453 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -69.27 -43.18 74.45 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.336 -0.852 . . . . 0.0 109.23 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -64.52 -43.72 93.16 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.565 -0.709 . . . . 0.0 109.22 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.26 -34.94 78.76 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.848 -0.532 . . . . 0.0 109.821 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 100' ' ' ILE . 39.3 tt0 -72.16 -39.23 68.87 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.461 -0.775 . . . . 0.0 109.955 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.46 -42.74 64.46 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.673 -0.642 . . . . 0.0 110.109 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.541 ' SG ' HD12 ' A' ' 53' ' ' ILE . 54.4 m -66.94 -41.36 87.13 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.397 -0.814 . . . . 0.0 109.262 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.21 -36.17 74.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 121.659 -0.65 . . . . 0.0 109.821 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 96' ' ' GLU . 93.9 mt -61.12 -51.7 70.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.637 0 O-C-N 121.377 -0.827 . . . . 0.0 109.155 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -74.93 -176.09 2.79 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.623 -0.673 . . . . 0.0 109.458 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.64 0.07 62.04 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.02 150.34 11.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 O-C-N 121.201 -1.176 . . . . 0.0 109.024 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.07 -145.79 17.25 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.458 ' HB ' ' HG2' ' A' ' 51' ' ' GLU . 3.2 p -147.07 128.68 6.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 121.216 -1.167 . . . . 0.0 110.236 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.499 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 12.2 p -152.79 112.18 3.86 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 106' ' ' THR . 9.3 mm-40 -172.33 -51.76 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.718 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 2.8 p -70.81 173.29 4.93 Favored Pre-proline 0 C--O 1.216 -0.67 0 O-C-N 121.897 -0.502 . . . . 0.0 110.001 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.718 ' HD2' ' HB ' ' A' ' 108' ' ' THR . 34.3 Cg_endo -60.56 177.33 0.63 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.731 1.621 . . . . 0.0 111.468 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 pp -46.58 -8.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.515 ' C ' ' SD ' ' A' ' 111' ' ' MET . 3.5 ppp? -49.62 -15.82 0.19 Allowed 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.911 -1.118 . . . . 0.0 111.152 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -50.4 -46.9 56.57 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 120.99 -1.068 . . . . 0.0 108.661 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -73.68 -28.4 61.73 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 111' ' ' MET . 28.4 t0 -52.91 -34.22 54.0 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.615 -0.678 . . . . 0.0 110.533 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.515 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 46.4 t -61.47 -48.75 79.68 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.003 -1.061 . . . . 0.0 108.327 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.665 HG12 ' HA ' ' A' ' 55' ' ' VAL . 69.7 mt -64.79 -34.07 67.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 114' ' ' ASP . 63.0 mt -66.73 -30.72 71.02 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.597 -0.69 . . . . 0.0 109.462 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.46 78.46 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.462 HG12 ' HG3' ' A' ' 59' ' ' MET . 95.2 t -66.36 -28.62 44.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -68.02 -44.21 77.04 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -67.45 -35.66 79.65 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 84.0 t80 -62.36 -50.66 70.7 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.702 -0.624 . . . . 0.0 109.418 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -68.74 -27.75 66.19 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.689 -0.632 . . . . 0.0 110.243 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -64.0 -40.55 96.61 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 tpp85 -68.18 -36.15 79.16 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 122' ' ' TYR . 62.1 mt -63.25 -38.63 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -64.14 -43.55 94.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.547 -0.721 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.1 tp -63.06 -40.06 96.58 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.509 -0.745 . . . . 0.0 109.011 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -57.96 -43.99 86.75 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.331 0.586 . . . . 0.0 109.525 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 52.7 mt -64.92 -40.38 94.98 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -72.65 -21.98 61.01 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.184 -0.948 . . . . 0.0 109.92 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -48.54 21.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.256 -0.902 . . . . 0.0 109.32 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -82.65 3.07 30.44 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 109.706 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 59.79 39.24 20.97 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.359 -0.838 . . . . 0.0 109.655 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.3 m-85 60.24 52.53 4.89 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.706 -0.621 . . . . 0.0 109.747 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.472 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 18.0 m -77.06 162.7 68.88 Favored Pre-proline 0 C--O 1.218 -0.594 0 O-C-N 121.494 -0.754 . . . . 0.0 109.179 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.9 Cg_endo -69.27 -42.15 4.19 Favored 'Trans proline' 0 C--N 1.348 0.545 0 O-C-N 123.727 1.383 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.9 -35.7 77.16 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.448 -0.783 . . . . 0.0 109.043 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.32 93.47 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.553 -0.717 . . . . 0.0 109.214 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.485 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 28.9 m95 -72.09 -33.71 68.08 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.496 -0.752 . . . . 0.0 110.091 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.578 ' CG ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -66.3 -40.57 90.08 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.186 -0.946 . . . . 0.0 108.604 178.732 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.539 HG23 ' HA ' ' A' ' 33' ' ' ARG . 55.0 t -63.31 -43.81 98.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.7 -24.96 29.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.443 ' C ' ' HD2' ' A' ' 144' ' ' ARG . 6.1 tmm_? -67.89 -48.6 65.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.279 -0.888 . . . . 0.0 108.704 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.57 75.65 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.468 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 30.2 mm-40 -67.19 -37.35 83.52 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.608 -0.682 . . . . 0.0 109.721 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 19.8 mm -74.8 -36.18 38.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 109.192 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.548 ' HG3' HD21 ' A' ' 15' ' ' LEU . 30.9 ttm -62.8 -45.83 90.81 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.401 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -67.76 -52.48 36.81 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 121.851 -0.53 . . . . 0.0 110.009 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.445 ' HA ' HD11 ' A' ' 153' ' ' LEU . 66.8 m -55.7 -45.29 77.87 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.955 -0.466 . . . . 0.0 110.57 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.434 ' HD2' ' HG ' ' A' ' 15' ' ' LEU . 29.1 t80 -65.53 -34.6 78.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.527 -0.733 . . . . 0.0 109.906 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.3 t -74.1 -31.69 62.9 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.367 -0.833 . . . . 0.0 109.353 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 150' ' ' SER . 46.3 mt -69.87 -37.23 76.02 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.522 -0.736 . . . . 0.0 109.083 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.606 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 48.2 m -73.64 -36.82 65.45 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 109.813 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 81.5 p -88.35 -3.22 58.88 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.439 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -68.26 -9.03 44.43 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.329 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.46 HD12 ' HA2' ' A' ' 44' ' ' GLY . 3.5 mm? -58.44 -20.66 46.8 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 120.956 -1.09 . . . . 0.0 110.822 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.4 ' HG3' ' HG2' ' A' ' 159' ' ' GLU . 1.2 pt20 -61.7 -17.93 57.63 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.098 -1.001 . . . . 0.0 109.983 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 159' ' ' GLU . 6.9 pt-20 -141.21 112.11 7.17 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.247 -0.908 . . . . 0.0 108.864 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.4 p -102.37 -52.4 3.13 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.812 -0.555 . . . . 0.0 109.519 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.2 tt -98.8 88.64 4.09 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -166.01 -59.27 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.291 -0.881 . . . . 0.0 109.718 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.3 t -105.38 117.39 33.9 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.375 -0.828 . . . . 0.0 109.367 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -162.7 94.22 0.85 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.496 -0.753 . . . . 0.0 109.123 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 118.466 -0.778 . . . . 0.0 109.899 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.585 ' SG ' HD21 ' A' ' 3' ' ' LEU . 16.0 p . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.293 0.568 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.97 72.12 5.47 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.635 -0.666 . . . . 0.0 109.758 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.592 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.0 OUTLIER -143.44 48.8 1.01 Allowed Pre-proline 0 C--O 1.216 -0.681 0 O-C-N 121.021 -1.05 . . . . 0.0 110.755 178.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 3' ' ' LEU . 37.6 Cg_endo -62.81 161.51 28.71 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.028 1.819 . . . . 0.0 110.712 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -105.18 64.59 0.71 Allowed 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.472 -0.768 . . . . 0.0 109.12 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.9 p -138.42 -70.59 0.42 Allowed 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.443 -0.786 . . . . 0.0 109.861 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -122.29 -178.33 3.85 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.189 -0.945 . . . . 0.0 110.143 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.3 p -175.92 127.91 0.23 Allowed 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -148.83 30.2 0.81 Allowed 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.421 -0.799 . . . . 0.0 110.069 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.27 -43.25 7.56 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HE2' ' A' ' 151' ' ' PHE . 80.0 p -88.07 -26.87 22.32 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.548 -0.972 . . . . 0.0 110.246 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -63.07 -40.18 96.9 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -74.4 -43.08 57.93 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.463 -0.773 . . . . 0.0 109.951 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.1 m -58.96 -44.94 91.59 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.432 -0.792 . . . . 0.0 109.651 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.501 HD21 ' HG3' ' A' ' 148' ' ' MET . 81.1 mt -68.25 -33.3 74.13 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.623 -0.673 . . . . 0.0 109.412 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -62.57 -39.46 93.76 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 84' ' ' PHE . 60.9 mt -60.84 -44.76 96.52 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.95 -38.87 80.02 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.737 -0.602 . . . . 0.0 109.824 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.62 93.77 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.51 -0.744 . . . . 0.0 109.826 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.04 -32.7 74.13 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.467 -0.771 . . . . 0.0 110.228 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.414 ' SD ' HD22 ' A' ' 81' ' ' LEU . 17.7 mtm -68.09 -29.09 67.94 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.298 -0.876 . . . . 0.0 110.592 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -49.82 111.22 0.48 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.463 -0.773 . . . . 0.0 109.663 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 1.0 OUTLIER -94.35 -38.82 10.79 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.406 0.622 . . . . 0.0 109.444 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.488 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -114.25 170.44 4.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-O 121.575 0.703 . . . . 0.0 110.595 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.5 m -91.51 143.54 26.49 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.494 ' O ' HD11 ' A' ' 30' ' ' LEU . 44.0 tp -60.72 -35.92 77.54 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.602 -0.686 . . . . 0.0 109.498 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.721 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 77.8 m-85 -65.76 -38.95 90.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -61.73 -26.87 68.33 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.488 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 37.4 m -105.86 51.91 0.74 Allowed 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.566 -0.709 . . . . 0.0 109.767 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.721 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.83 9.0 8.8 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.188 -0.945 . . . . 0.0 109.957 178.464 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -87.65 -28.98 21.52 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.159 -0.963 . . . . 0.0 109.537 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -114.55 21.92 14.09 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.608 -0.682 . . . . 0.0 109.864 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.2 tpt85 -66.4 108.56 2.41 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.994 -1.066 . . . . 0.0 109.55 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -150.34 140.07 21.72 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.195 0.522 . . . . 0.0 109.762 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -98.76 138.71 35.53 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -85.71 -42.16 14.5 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 109.705 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.33 43.95 1.42 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 58.2 t80 -43.02 134.64 3.01 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 121.693 -0.886 . . . . 0.0 110.456 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.593 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 56.6 Cg_endo -80.93 81.41 2.74 Favored 'Trans proline' 0 C--N 1.356 0.951 0 O-C-N 123.679 1.357 . . . . 0.0 110.871 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.558 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.0 OUTLIER -82.45 -19.99 37.84 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.21 -0.931 . . . . 0.0 109.775 179.193 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.0 -31.47 41.15 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.387 -0.821 . . . . 0.0 109.516 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 0.9 OUTLIER -101.38 46.72 0.93 Allowed 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.628 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 10.8 m-85 -148.75 -72.48 0.19 Allowed 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.339 -0.851 . . . . 0.0 109.199 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 157' ' ' LEU . . . -61.9 -34.63 89.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -109.53 151.1 27.21 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.732 -0.864 . . . . 0.0 109.117 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 76.09 15.94 2.33 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.865 -0.522 . . . . 0.0 110.287 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.41 ' CG ' ' HB ' ' A' ' 52' ' ' THR . 98.4 m-85 -149.44 92.75 1.97 Allowed 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.04 -1.038 . . . . 0.0 108.796 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -116.35 111.62 20.34 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.173 -0.954 . . . . 0.0 110.54 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? 60.97 105.58 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.278 0.561 . . . . 0.0 111.258 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 53' ' ' ILE . . . 52.59 66.43 1.22 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.599 -0.688 . . . . 0.0 109.988 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -139.23 -49.83 0.51 Allowed 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.423 -0.798 . . . . 0.0 109.588 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.517 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 13.0 t -91.1 5.05 50.51 Favored 'General case' 0 C--O 1.212 -0.915 0 O-C-N 121.81 -0.556 . . . . 0.0 110.175 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.61 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 mt -51.38 -44.62 89.17 Favored Pre-proline 0 C--O 1.213 -0.848 0 O-C-N 121.129 -0.982 . . . . 0.0 110.617 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.5 -31.45 51.06 Favored 'Trans proline' 0 C--N 1.357 0.987 0 O-C-N 123.23 1.121 . . . . 0.0 110.669 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.66 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.8 t -73.75 -42.01 54.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 121.374 -0.829 . . . . 0.0 108.769 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.599 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.8 mt -64.77 -34.57 78.65 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.0 -51.41 64.37 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.639 -0.663 . . . . 0.0 109.489 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.53 ' HB2' HD12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -68.41 -26.85 65.75 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.235 -0.916 . . . . 0.0 109.339 179.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -67.32 -38.84 85.59 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.6 HG21 ' CD2' ' A' ' 88' ' ' LEU . 7.1 mm -65.38 -33.55 64.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' HG2' HD23 ' A' ' 92' ' ' LEU . 3.4 mm100 -70.2 -39.09 75.38 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.6 -0.688 . . . . 0.0 109.652 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.46 -43.02 82.09 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.53 HG22 ' CE1' ' A' ' 67' ' ' PHE . 76.2 mt -71.95 -27.45 27.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.488 ' HA ' HD11 ' A' ' 88' ' ' LEU . 20.9 t80 -64.74 -44.95 88.49 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.353 -0.842 . . . . 0.0 109.392 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -77.73 -38.73 46.45 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.833 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.71 -32.07 68.84 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.695 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.53 ' CE1' HG22 ' A' ' 63' ' ' ILE . 9.2 m-85 -97.22 -25.13 15.39 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.507 -0.745 . . . . 0.0 110.043 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.2 t -73.6 -20.48 60.59 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.317 -0.865 . . . . 0.0 110.172 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.9 p -54.87 145.94 18.68 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.286 -0.883 . . . . 0.0 109.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.8 -26.43 65.74 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.651 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.4 m-20 -70.3 -43.88 69.47 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.459 -0.776 . . . . 0.0 109.416 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.495 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.2 t -75.54 -31.86 60.24 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.472 -0.768 . . . . 0.0 109.796 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.546 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.9 m -63.54 -36.59 84.3 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.565 -0.709 . . . . 0.0 109.399 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.25 -25.43 34.1 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.74 -30.74 68.41 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.517 -0.739 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.496 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 71.4 m95 -121.65 171.03 9.14 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.427 -0.795 . . . . 0.0 110.036 -178.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 131.21 46.0 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.41 -25.65 68.11 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 121.46 -0.775 . . . . 0.0 110.367 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.6 m -79.67 -44.28 21.19 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.137 -0.977 . . . . 0.0 108.74 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.98 -38.85 92.79 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.546 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -71.29 -33.33 69.62 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -55.65 -52.95 62.09 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -63.71 -31.81 73.1 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.456 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 17.2 t80 -68.54 -28.77 67.27 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 121.735 -0.603 . . . . 0.0 109.807 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -77.32 -52.93 8.34 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.025 -1.047 . . . . 0.0 109.236 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.5 m -63.41 -29.42 70.71 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.729 -0.607 . . . . 0.0 109.736 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 90' ' ' GLN . 2.5 tt0 -76.98 -32.91 57.59 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.43 -0.794 . . . . 0.0 109.501 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.6 ' CD2' HG21 ' A' ' 60' ' ' ILE . 53.5 mt -70.88 -38.42 73.07 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.47 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 14.0 t80 -77.28 -37.74 52.23 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 110.261 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 87' ' ' GLU . 3.3 pt20 -67.63 -38.19 83.54 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 120.984 -1.073 . . . . 0.0 108.59 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -70.27 -30.25 67.23 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.573 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 9.6 mt -67.81 -33.38 74.68 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.31 -40.99 70.45 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.427 -0.796 . . . . 0.0 109.311 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 -40.82 81.69 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.358 -0.838 . . . . 0.0 109.388 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt -65.29 -37.15 86.25 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.642 -0.661 . . . . 0.0 109.304 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' O ' HG13 ' A' ' 100' ' ' ILE . 88.6 tt0 -73.49 -31.04 63.52 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.667 -0.646 . . . . 0.0 109.77 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.3 -47.43 69.22 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.595 -0.69 . . . . 0.0 109.787 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' ' 1' ' ' CYS . 88.4 m -60.56 -44.35 96.25 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.452 -0.78 . . . . 0.0 109.249 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.67 -35.93 62.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 O-C-N 121.833 -0.542 . . . . 0.0 109.954 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 96' ' ' GLU . 95.7 mt -58.0 -52.64 55.8 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -78.31 -172.7 2.94 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.76 48.38 3.86 Favored Glycine 0 CA--C 1.533 1.186 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.42 154.08 37.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 O-C-N 121.649 -0.912 . . . . 0.0 109.276 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.79 -27.37 19.2 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.1 m -134.11 172.89 15.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 O-C-N 121.258 -1.142 . . . . 0.0 109.99 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.3 p -91.29 -163.39 1.03 Allowed 'General case' 0 C--O 1.219 -0.553 0 O-C-N 121.568 -0.708 . . . . 0.0 109.157 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -51.19 -34.09 30.29 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.418 -0.802 . . . . 0.0 109.955 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.6 p -138.97 135.9 17.92 Favored Pre-proline 0 C--O 1.218 -0.587 0 O-C-N 121.334 -0.854 . . . . 0.0 109.049 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.551 ' HB2' ' HG2' ' A' ' 112' ' ' LYS . 38.3 Cg_endo -71.11 103.58 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 O-C-N 123.782 1.411 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 92.5 mt -121.52 -41.55 2.48 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.505 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.4 ptp -93.7 25.8 3.39 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.785 -0.572 . . . . 0.0 110.197 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.551 ' HG2' ' HB2' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -97.4 -27.22 14.57 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.115 -0.991 . . . . 0.0 110.886 -179.241 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -98.86 -50.2 4.29 Favored 'General case' 0 C--O 1.208 -1.082 0 O-C-N 120.81 -1.181 . . . . 0.0 110.747 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -35.7 55.72 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.286 -0.884 . . . . 0.0 111.009 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.557 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 23.4 t -72.66 -46.8 52.08 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.155 -0.965 . . . . 0.0 109.705 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.66 HG12 ' HA ' ' A' ' 55' ' ' VAL . 73.6 mt -67.93 -35.18 71.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 O-C-N 121.433 -0.792 . . . . 0.0 109.053 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.31 -37.51 83.48 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.95 75.82 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 23.0 t -66.01 -23.14 31.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -73.55 -45.2 54.95 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.256 -0.902 . . . . 0.0 110.01 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -74.34 -29.47 61.61 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.445 -0.784 . . . . 0.0 109.427 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 126' ' ' ILE . 4.3 m-85 -76.43 -35.57 58.45 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.469 -0.77 . . . . 0.0 109.619 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -73.65 -31.07 63.31 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.92 -43.08 99.59 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -61.22 -42.15 98.1 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 122' ' ' TYR . 64.5 mt -59.97 -36.89 69.82 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 O-C-N 121.64 -0.663 . . . . 0.0 109.395 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.2 m -65.04 -43.63 91.7 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.513 -0.742 . . . . 0.0 109.459 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.08 -30.98 70.3 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.451 -0.781 . . . . 0.0 109.378 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -62.24 -40.5 96.39 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 75.8 mt -65.71 -46.39 79.15 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.39 -25.04 67.85 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.035 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.75 -50.35 36.96 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.349 -0.845 . . . . 0.0 109.357 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.486 ' HG2' ' HB3' ' A' ' 139' ' ' ALA . 14.2 mptt -82.8 5.09 22.72 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.684 -0.635 . . . . 0.0 109.81 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 61.75 42.09 11.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.504 -0.747 . . . . 0.0 109.793 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 87.5 m-85 57.87 51.31 9.25 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.612 0.72 . . . . 0.0 109.563 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.1 t -76.52 148.96 80.78 Favored Pre-proline 0 C--O 1.215 -0.722 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.96 -30.39 57.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 O-C-N 123.725 1.381 . . . . 0.0 110.748 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -43.71 54.24 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.447 -0.783 . . . . 0.0 108.982 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.486 ' HB3' ' HG2' ' A' ' 133' ' ' LYS . . . -64.89 -33.58 76.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.623 -0.673 . . . . 0.0 109.266 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.495 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 11.1 m95 -66.61 -36.34 82.37 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.514 -0.741 . . . . 0.0 109.671 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.5 -31.88 69.16 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.309 -0.869 . . . . 0.0 109.154 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.09 -41.56 92.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 147' ' ' ILE . 67.6 t -74.07 -24.61 19.42 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.496 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 26.6 ttp85 -68.46 -47.68 66.5 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.195 -0.94 . . . . 0.0 108.719 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.05 -32.17 72.34 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.84 -30.95 62.96 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.617 -0.677 . . . . 0.0 109.975 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.6 mm -78.58 -34.53 17.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.136 -0.977 . . . . 0.0 109.253 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.501 ' HG3' HD21 ' A' ' 15' ' ' LEU . 29.4 ttm -74.7 -37.65 62.57 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.476 ' CZ ' HD13 ' A' ' 153' ' ' LEU . 1.6 tmm_? -73.09 -43.09 62.28 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.539 -0.726 . . . . 0.0 109.275 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.542 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 75.0 m -65.58 -40.54 92.86 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.414 ' HE2' ' HA ' ' A' ' 11' ' ' SER . 44.6 t80 -66.7 -40.12 88.36 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -65.21 -37.55 87.64 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.558 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 71.0 mt -64.42 -40.38 95.65 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.602 -0.686 . . . . 0.0 109.312 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.599 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.9 m -72.5 -25.84 61.56 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.655 -0.653 . . . . 0.0 110.126 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 44.1 p -101.82 2.13 37.93 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -76.69 3.11 12.37 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.217 -0.927 . . . . 0.0 110.742 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.429 HD12 ' HA2' ' A' ' 44' ' ' GLY . 4.2 mm? -50.88 -18.93 0.85 Allowed 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.086 -1.009 . . . . 0.0 111.324 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -52.89 -26.88 16.22 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.137 -0.977 . . . . 0.0 110.651 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 159' ' ' GLU . 0.0 OUTLIER -155.54 128.91 8.31 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.01 -1.056 . . . . 0.0 108.992 177.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 34.2 p -156.63 101.25 1.98 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 96.7 mt -81.45 -178.68 7.04 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.389 -0.82 . . . . 0.0 109.629 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.6 ptt85 -154.0 81.97 1.14 Allowed 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.304 -0.872 . . . . 0.0 109.611 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 77.5 p -86.14 131.13 34.32 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.326 -0.859 . . . . 0.0 109.431 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -141.52 84.44 1.91 Allowed 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.408 -0.808 . . . . 0.0 109.323 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.894 -1.05 . . . . 0.0 109.48 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.404 ' CB ' HG22 ' A' ' 103' ' ' VAL . 2.5 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.534 0.683 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.68 64.63 1.43 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.416 0.627 . . . . 0.0 109.766 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.59 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.4 mm? -68.91 -56.93 8.43 Favored Pre-proline 0 C--O 1.216 -0.698 0 O-C-N 121.423 -0.798 . . . . 0.0 109.109 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 53.6 Cg_endo -78.74 170.86 17.51 Favored 'Trans proline' 0 C--N 1.353 0.773 0 O-C-N 123.686 1.361 . . . . 0.0 110.079 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -79.59 68.09 5.54 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.375 -0.828 . . . . 0.0 109.422 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -127.13 4.98 6.42 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.424 -0.798 . . . . 0.0 110.293 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 0.3 OUTLIER -60.25 -176.47 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.25 -0.906 . . . . 0.0 110.979 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 m -139.36 -153.97 0.5 Allowed 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.572 -0.705 . . . . 0.0 109.506 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -130.73 86.93 2.43 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.152 -0.967 . . . . 0.0 109.541 -179.291 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.89 -40.07 5.99 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.7 p -66.98 -29.64 69.54 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.493 -1.004 . . . . 0.0 110.11 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -64.35 -37.76 88.66 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.381 -0.825 . . . . 0.0 109.639 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -75.99 -40.11 54.41 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.36 -0.838 . . . . 0.0 109.941 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.7 m -62.75 -42.22 99.57 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.324 -0.86 . . . . 0.0 109.51 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' HG ' ' HD2' ' A' ' 151' ' ' PHE . 46.9 mt -69.68 -32.82 71.66 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.566 -0.708 . . . . 0.0 109.156 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.7 ttp -64.35 -37.03 86.05 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 84' ' ' PHE . 94.3 mt -64.31 -39.52 94.09 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.653 ' HG ' ' CE2' ' A' ' 84' ' ' PHE . 12.3 mt -59.26 -36.63 75.85 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.78 73.58 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.48 -0.762 . . . . 0.0 109.92 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -66.0 -43.42 87.78 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.019 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.532 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 28.2 mtm -64.53 -27.42 68.96 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.413 -0.804 . . . . 0.0 110.111 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.07 98.79 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.382 0.61 . . . . 0.0 109.852 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.35 -43.54 14.64 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.479 HG13 ' HG3' ' A' ' 141' ' ' GLU . 3.7 pt -108.83 168.37 3.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-O 121.372 0.606 . . . . 0.0 109.552 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.8 m -100.59 157.45 16.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.548 -0.72 . . . . 0.0 109.705 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HG3' ' A' ' 33' ' ' ARG . 61.5 tp -65.12 -29.67 70.54 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.44 ' HA ' ' CG ' ' A' ' 30' ' ' LEU . 90.8 m-85 -67.37 -37.54 83.34 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -67.63 -30.07 69.55 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.389 -0.819 . . . . 0.0 108.975 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.445 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 60.3 m -112.36 54.26 0.71 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.541 -0.724 . . . . 0.0 109.985 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.44 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 75.6 mt -86.79 1.21 53.05 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.952 -1.093 . . . . 0.0 110.49 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -84.22 -29.76 26.29 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.19 -0.944 . . . . 0.0 109.527 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' HA ' ' A' ' 139' ' ' ALA . 2.1 p-10 -107.58 16.19 24.0 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.47 -0.769 . . . . 0.0 110.777 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HG3' HD12 ' A' ' 26' ' ' LEU . 23.3 ttm180 -71.99 119.06 15.64 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 120.604 -1.31 . . . . 0.0 109.676 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -137.8 129.35 28.15 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.3 113.68 6.86 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.51 -0.744 . . . . 0.0 109.243 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.691 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 76.3 m-85 -71.82 -42.16 67.34 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.541 -0.725 . . . . 0.0 109.254 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.45 61.85 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 69.3 t80 -70.06 128.48 91.58 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.467 -1.019 . . . . 0.0 108.543 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.4 Cg_endo -77.83 64.62 8.22 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 O-C-N 123.718 1.378 . . . . 0.0 111.13 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -72.35 -21.0 61.37 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.304 178.282 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.45 -33.51 65.96 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.379 -0.825 . . . . 0.0 108.929 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 47' ' ' PHE . 15.6 tt0 -97.66 29.9 3.16 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.406 -0.809 . . . . 0.0 109.21 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 5.0 m-85 -135.09 45.85 2.48 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 157' ' ' LEU . . . -153.8 -79.04 0.02 OUTLIER Glycine 0 C--O 1.217 -0.935 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -74.81 130.52 39.59 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.913 -0.757 . . . . 0.0 109.222 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 72.47 23.49 3.12 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.918 -0.489 . . . . 0.0 109.932 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.632 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 79.0 m-85 -145.02 33.01 1.11 Allowed 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.097 -1.002 . . . . 0.0 109.549 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -131.93 39.68 3.42 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.315 -0.865 . . . . 0.0 109.922 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -161.57 63.4 0.26 Allowed 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.343 -0.848 . . . . 0.0 108.727 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.24 33.74 23.44 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.599 -0.688 . . . . 0.0 109.416 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 36.9 mt-10 -108.08 -40.63 5.15 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.418 -0.801 . . . . 0.0 109.817 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.632 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 5.6 t -94.89 3.92 54.41 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.746 -0.596 . . . . 0.0 110.611 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.651 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 47.5 mt -58.3 -41.98 92.38 Favored Pre-proline 0 C--O 1.213 -0.861 0 O-C-N 120.94 -1.1 . . . . 0.0 109.96 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -66.09 -29.17 48.43 Favored 'Trans proline' 0 C--N 1.358 1.03 0 O-C-N 123.131 1.069 . . . . 0.0 110.221 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.618 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.46 -41.65 49.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.571 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 43.4 mt -65.39 -37.19 86.24 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -61.89 -47.95 82.66 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.675 -0.641 . . . . 0.0 109.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -69.63 -28.51 65.97 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.532 -0.73 . . . . 0.0 109.539 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 ttt -68.19 -36.79 80.13 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.372 -0.83 . . . . 0.0 109.068 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.6 ' CG2' ' HG ' ' A' ' 92' ' ' LEU . 9.0 mm -67.7 -37.61 78.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -71.35 -34.59 70.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.53 -0.731 . . . . 0.0 109.74 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -69.8 -43.89 71.19 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.33 -0.856 . . . . 0.0 109.223 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.484 HG21 ' CD1' ' A' ' 67' ' ' PHE . 91.7 mt -69.27 -29.8 43.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.66 ' HA ' HD11 ' A' ' 88' ' ' LEU . 55.8 t80 -61.99 -43.93 97.8 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.389 -0.819 . . . . 0.0 109.821 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -78.17 -39.55 40.54 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.53 -0.732 . . . . 0.0 109.865 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.0 -30.36 69.09 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.371 -0.831 . . . . 0.0 109.606 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.484 ' CD1' HG21 ' A' ' 63' ' ' ILE . 7.3 m-85 -98.11 -15.76 19.83 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.572 -0.705 . . . . 0.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.9 t -85.03 -17.26 38.06 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.154 -0.966 . . . . 0.0 109.651 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 p -54.83 147.82 14.32 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.432 -0.792 . . . . 0.0 110.214 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.01 -24.57 67.98 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.59 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.62 -38.27 55.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.528 -0.732 . . . . 0.0 109.511 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.502 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 87.7 p -78.05 -32.23 50.75 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.489 -0.757 . . . . 0.0 109.79 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.544 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 69.4 m -66.75 -35.53 80.31 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.678 -0.638 . . . . 0.0 109.494 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.86 36.81 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.6 -0.687 . . . . 0.0 109.152 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.69 67.87 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.524 -0.735 . . . . 0.0 110.33 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.503 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 77.7 m95 -111.05 174.08 6.03 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.633 -0.667 . . . . 0.0 110.055 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.26 131.05 44.67 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -63.95 -28.28 69.71 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.381 -0.824 . . . . 0.0 110.39 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.8 m -76.65 -45.39 30.08 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.269 -0.894 . . . . 0.0 108.92 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.532 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 91.6 mt -63.21 -38.5 91.4 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.544 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 9.7 mt -69.47 -32.96 72.19 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.97 -49.49 75.56 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HB3' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -65.5 -30.06 70.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.383 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.653 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -64.83 -41.75 95.49 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.391 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.24 -37.61 85.92 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 109.409 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -38.63 81.48 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.627 -0.67 . . . . 0.0 109.835 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -74.29 -27.42 60.72 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.66 HD11 ' HA ' ' A' ' 64' ' ' PHE . 71.5 mt -74.17 -40.32 62.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.405 -0.81 . . . . 0.0 109.341 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -36.49 61.76 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.383 -0.823 . . . . 0.0 110.237 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -73.3 -42.65 62.15 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.216 -0.927 . . . . 0.0 109.374 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -66.63 -27.73 67.92 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.414 -0.804 . . . . 0.0 108.924 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.6 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 7.5 mt -66.41 -48.15 70.97 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.75 -40.31 87.7 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.808 -0.557 . . . . 0.0 109.818 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.21 -45.74 86.95 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.263 -0.898 . . . . 0.0 108.673 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.8 mt -61.03 -30.29 70.22 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.549 ' O ' HG12 ' A' ' 100' ' ' ILE . 92.5 mt-10 -73.11 -31.46 64.34 Favored 'General case' 0 C--O 1.209 -1.049 0 O-C-N 121.589 -0.695 . . . . 0.0 109.776 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.55 -52.23 10.75 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.816 -0.553 . . . . 0.0 110.587 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 85.2 m -60.14 -46.11 90.77 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.305 -0.872 . . . . 0.0 108.782 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.22 -32.9 51.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 121.778 -0.576 . . . . 0.0 110.43 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 96' ' ' GLU . 21.7 mm -61.92 -55.12 26.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 O-C-N 121.125 -0.984 . . . . 0.0 109.195 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -75.36 177.25 6.74 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.647 -0.658 . . . . 0.0 109.633 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.99 -30.03 76.2 Favored Glycine 0 CA--C 1.536 1.368 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.404 HG22 ' CB ' ' A' ' 1' ' ' CYS . 2.5 m -60.09 101.73 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 O-C-N 121.53 -0.983 . . . . 0.0 109.949 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.16 -125.45 0.77 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 37.2 t -134.04 29.08 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 121.634 -0.921 . . . . 0.0 109.764 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 21.5 p -87.84 110.03 20.2 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 120.946 -1.096 . . . . 0.0 110.032 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 106' ' ' THR . 38.4 mt-10 -162.46 -68.47 0.05 Allowed 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 p -148.34 132.05 8.42 Favored Pre-proline 0 C--O 1.216 -0.668 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -75.64 95.4 1.01 Allowed 'Trans proline' 0 C--O 1.218 -0.493 0 O-C-N 123.587 1.309 . . . . 0.0 111.948 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.595 ' HG ' ' N ' ' A' ' 111' ' ' MET . 2.5 pt? -122.55 -44.23 2.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.005 176.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.595 ' N ' ' HG ' ' A' ' 110' ' ' LEU . 5.1 ptm -121.16 22.63 10.86 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.608 -0.683 . . . . 0.0 109.504 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 62.3 pttt -55.89 -39.18 71.19 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.299 -0.876 . . . . 0.0 109.664 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 35.4 tt0 -120.12 -7.09 9.91 Favored 'General case' 0 C--O 1.204 -1.329 0 O-C-N 121.49 -0.756 . . . . 0.0 110.112 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.17 -50.75 70.58 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 120.695 -1.253 . . . . 0.0 110.218 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.41 ' HB2' HG23 ' A' ' 55' ' ' VAL . 2.4 p -65.5 -45.88 81.86 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.963 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.618 HG12 ' HA ' ' A' ' 55' ' ' VAL . 68.0 mt -68.11 -28.02 39.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 121.509 -0.744 . . . . 0.0 109.292 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 9.3 tt -68.52 -35.8 77.98 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.41 ' C ' ' HG3' ' A' ' 39' ' ' PRO . . . -64.41 -47.18 80.14 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.17 -24.5 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -70.75 -43.75 68.19 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.33 -0.856 . . . . 0.0 109.72 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -73.14 -30.55 63.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.415 -0.803 . . . . 0.0 108.941 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.512 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 45.8 t80 -65.32 -49.17 70.45 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -69.95 -29.76 66.97 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.689 -0.632 . . . . 0.0 110.003 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -42.96 99.5 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 125' ' ' ARG . 22.0 tpp180 -66.12 -38.1 87.34 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.691 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 58.4 mt -60.21 -37.22 72.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 O-C-N 121.57 -0.706 . . . . 0.0 109.186 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -36.94 80.47 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.487 -0.758 . . . . 0.0 109.25 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.87 -47.25 78.57 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.406 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 24.4 t80 -59.56 -36.42 76.17 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.61 -0.681 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.16 -41.86 85.28 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.06 -19.25 60.67 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.327 -0.858 . . . . 0.0 109.713 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.5 -48.04 20.8 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.31 -0.869 . . . . 0.0 109.174 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -84.46 3.14 37.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.783 -0.573 . . . . 0.0 109.657 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 3.7 mptp? 60.21 39.56 19.08 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 63.13 52.77 2.43 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.873 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.496 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.1 m -77.5 163.53 63.48 Favored Pre-proline 0 C--O 1.217 -0.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.273 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.89 -43.47 3.45 Favored 'Trans proline' 0 C--O 1.216 -0.583 0 O-C-N 123.784 1.413 . . . . 0.0 111.026 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.65 -38.42 80.44 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.372 -0.83 . . . . 0.0 108.83 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.434 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . . . -59.8 -39.71 85.9 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.597 -0.689 . . . . 0.0 109.407 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.502 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.5 m95 -71.31 -31.89 67.96 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.513 -0.742 . . . . 0.0 109.976 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.479 ' HG3' HG13 ' A' ' 24' ' ' ILE . 14.4 tm-20 -66.18 -48.33 71.07 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.316 -0.865 . . . . 0.0 109.085 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.19 -40.8 87.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.066 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 147' ' ' ILE . 70.7 t -68.06 -31.38 51.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 121.625 -0.672 . . . . 0.0 109.478 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.503 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 23.7 ttp85 -67.38 -47.22 71.0 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.45 -0.782 . . . . 0.0 109.122 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.24 72.31 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -73.22 -31.5 64.19 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.777 -0.577 . . . . 0.0 109.844 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 143' ' ' VAL . 19.6 mm -79.01 -34.11 16.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.289 -0.882 . . . . 0.0 109.6 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.3 ttm -73.26 -37.01 66.47 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -72.49 -48.54 39.83 Favored 'General case' 0 C--O 1.209 -1.041 0 O-C-N 121.69 -0.631 . . . . 0.0 109.357 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.605 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 88.9 p -63.76 -38.32 90.67 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.795 -0.565 . . . . 0.0 109.75 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.496 ' HD2' ' HG ' ' A' ' 15' ' ' LEU . 21.9 t80 -72.06 -37.43 69.65 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.493 -0.754 . . . . 0.0 109.8 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 87.7 p -69.22 -35.63 76.39 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 108.742 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.39 -39.15 93.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 73.8 m -72.43 -30.1 64.31 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.69 -0.631 . . . . 0.0 110.198 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.4 p -98.09 0.9 46.99 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.376 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -85.63 1.71 48.1 Favored 'General case' 0 C--O 1.212 -0.918 0 O-C-N 121.04 -1.037 . . . . 0.0 110.301 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.458 ' CD1' ' HA2' ' A' ' 44' ' ' GLY . 4.5 mm? -51.47 -36.56 44.81 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.168 -0.958 . . . . 0.0 110.595 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.579 ' HG3' ' HG2' ' A' ' 159' ' ' GLU . 22.7 pt20 -73.91 -30.47 62.6 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.408 -0.807 . . . . 0.0 110.391 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.579 ' HG2' ' HG3' ' A' ' 158' ' ' GLN . 8.0 mm-40 -99.01 0.14 43.24 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.241 -0.912 . . . . 0.0 110.816 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 46.9 m -85.84 72.16 10.55 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.299 -0.876 . . . . 0.0 109.594 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.32 178.5 2.36 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.551 -0.718 . . . . 0.0 109.082 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -91.24 -101.2 0.11 Allowed 'General case' 0 C--O 1.216 -0.659 0 O-C-N 120.973 -1.079 . . . . 0.0 109.298 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 64.9 p 179.45 177.14 0.59 Allowed 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.227 -0.921 . . . . 0.0 109.556 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -124.68 50.33 1.73 Allowed 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.484 -0.76 . . . . 0.0 108.994 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 CA--C 1.535 0.365 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.556 -179.773 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.465 0.65 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -138.4 86.98 2.2 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.661 ' HB2' ' CD ' ' A' ' 4' ' ' PRO . 7.7 mp -123.94 -73.39 0.01 OUTLIER Pre-proline 0 C--O 1.215 -0.713 0 O-C-N 121.566 -0.708 . . . . 0.0 109.563 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.661 ' CD ' ' HB2' ' A' ' 3' ' ' LEU . 43.6 Cg_endo -69.21 145.31 59.9 Favored 'Trans proline' 0 C--N 1.357 1.0 0 O-C-N 123.208 1.109 . . . . 0.0 110.333 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -86.94 66.01 9.23 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.3 p -148.01 65.65 1.1 Allowed 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.412 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 13.2 m170 -72.6 167.79 19.98 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.333 -0.854 . . . . 0.0 109.583 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 p 179.43 169.27 1.07 Allowed 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.694 -0.629 . . . . 0.0 109.456 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 tp -117.78 104.99 11.5 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.71 -25.53 13.26 Favored Glycine 0 C--O 1.212 -1.243 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -63.3 -37.7 88.27 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.299 -1.118 . . . . 0.0 109.977 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -71.77 -36.59 70.41 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.397 -0.814 . . . . 0.0 109.476 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.508 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 32.0 mmt180 -75.19 -36.61 61.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.561 -0.712 . . . . 0.0 109.727 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.427 HG22 ' CE1' ' A' ' 84' ' ' PHE . 94.3 m -69.14 -45.68 69.52 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.313 -0.867 . . . . 0.0 109.377 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 151' ' ' PHE . 88.4 mt -68.99 -37.97 79.05 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.709 -0.62 . . . . 0.0 110.41 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.508 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 18.1 ptm -66.39 -30.99 71.49 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.0 -1.063 . . . . 0.0 109.225 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.508 ' CD1' ' HA ' ' A' ' 84' ' ' PHE . 49.8 mt -66.35 -40.9 90.11 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.66 -35.89 77.33 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.709 -0.619 . . . . 0.0 109.464 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.24 75.81 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.563 -0.711 . . . . 0.0 109.645 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -65.83 -33.38 75.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.465 -0.772 . . . . 0.0 109.941 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.8 mtp -63.86 -35.59 81.14 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.515 -0.74 . . . . 0.0 109.532 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -48.89 113.16 0.73 Allowed 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.846 -0.534 . . . . 0.0 109.988 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -96.35 -36.18 10.95 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.615 -0.678 . . . . 0.0 109.36 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.455 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 3.3 pt -113.31 170.53 4.31 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 CA-C-O 121.522 0.677 . . . . 0.0 109.844 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.0 m -96.13 148.97 22.13 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.652 -0.655 . . . . 0.0 109.235 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -64.44 -31.51 72.75 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -68.4 -38.02 80.89 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -66.1 -28.15 68.59 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 20.3 m -108.71 50.21 0.79 Allowed 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.456 -0.777 . . . . 0.0 110.112 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -82.38 -0.99 48.48 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.203 -0.936 . . . . 0.0 109.825 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -79.27 -24.02 43.24 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.436 -0.79 . . . . 0.0 109.181 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -112.41 25.82 11.14 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.679 -0.638 . . . . 0.0 109.91 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.5 123.18 16.58 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.111 -0.993 . . . . 0.0 109.21 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -151.86 126.53 9.54 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.527 -0.733 . . . . 0.0 109.041 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -91.67 114.24 26.72 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.655 ' CE1' ' HA ' ' A' ' 126' ' ' ILE . 79.7 m-85 -69.41 -43.72 72.84 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.529 -0.732 . . . . 0.0 110.267 -178.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.53 66.45 0.67 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 150' ' ' SER . 82.4 t80 -65.42 128.51 93.86 Favored Pre-proline 0 C--O 1.217 -0.623 0 O-C-N 121.662 -0.905 . . . . 0.0 108.834 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 118' ' ' ALA . 53.0 Cg_endo -75.57 68.74 6.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.678 1.357 . . . . 0.0 110.827 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 40' ' ' GLN . 20.2 tt0 -71.42 -17.07 62.41 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.415 -0.803 . . . . 0.0 109.662 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.5 -29.44 64.31 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.34 -0.85 . . . . 0.0 109.0 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 7.0 tp10 -99.69 31.44 3.21 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.413 -0.805 . . . . 0.0 109.284 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 38.7 m-85 -142.69 44.01 1.6 Allowed 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.338 -0.851 . . . . 0.0 109.083 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.73 -93.53 0.16 Allowed Glycine 0 C--O 1.216 -0.984 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -72.04 143.04 49.26 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.823 -0.81 . . . . 0.0 109.013 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 68.42 21.4 8.26 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.626 ' HB3' HG21 ' A' ' 52' ' ' THR . 60.3 m-85 -144.87 137.83 26.57 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.136 -0.977 . . . . 0.0 109.355 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -163.41 -153.52 0.24 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.599 -0.688 . . . . 0.0 109.152 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -78.3 8.15 5.42 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.027 -1.046 . . . . 0.0 111.187 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HA ' HD13 ' A' ' 53' ' ' ILE . . . -139.88 12.67 2.46 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.008 -1.057 . . . . 0.0 110.387 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 50.4 mt-10 -125.21 -42.1 2.02 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 121.002 -1.061 . . . . 0.0 109.674 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.626 HG21 ' HB3' ' A' ' 47' ' ' PHE . 36.3 p -86.04 -1.28 57.21 Favored 'General case' 0 C--O 1.205 -1.289 0 O-C-N 121.666 -0.646 . . . . 0.0 110.331 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.588 HD13 ' HA ' ' A' ' 50' ' ' ALA . 36.2 mt -46.69 -50.86 40.81 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 120.946 -1.096 . . . . 0.0 111.014 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.97 -31.86 45.86 Favored 'Trans proline' 0 C--N 1.354 0.828 0 O-C-N 123.258 1.136 . . . . 0.0 110.252 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 43' ' ' PHE . 46.3 t -70.47 -47.22 66.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.574 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 35.0 mt -62.36 -31.44 72.09 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -66.01 -46.99 75.93 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.445 -0.784 . . . . 0.0 109.658 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.562 ' HB3' HG22 ' A' ' 116' ' ' ILE . 30.1 tp10 -72.34 -30.15 64.48 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.304 -0.873 . . . . 0.0 109.842 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.7 ttt -67.27 -48.05 68.87 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.279 -0.888 . . . . 0.0 108.982 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.661 HG23 ' HG ' ' A' ' 92' ' ' LEU . 16.8 mt -71.81 -21.31 20.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.669 -0.644 . . . . 0.0 109.42 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -74.84 -36.09 62.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.66 -33.94 64.7 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' CE1' ' A' ' 67' ' ' PHE . 82.5 mt -74.98 -29.09 21.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.543 ' HA ' HD11 ' A' ' 88' ' ' LEU . 23.1 t80 -64.94 -49.39 70.54 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 121.406 -0.809 . . . . 0.0 109.464 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -79.04 -32.21 44.88 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.534 -0.729 . . . . 0.0 109.745 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 130' ' ' LEU . 49.6 tp -61.89 -32.24 72.6 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.514 -0.742 . . . . 0.0 109.364 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 63' ' ' ILE . 16.8 m-85 -97.9 -25.1 15.12 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.611 -0.681 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.0 t -75.72 -20.09 58.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.295 -0.878 . . . . 0.0 109.835 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.3 p -54.05 148.56 10.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.402 -0.811 . . . . 0.0 109.799 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.73 -26.53 68.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.609 -0.682 . . . . 0.0 109.817 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.1 p30 -73.76 -26.32 60.59 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.589 -0.695 . . . . 0.0 110.013 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.432 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 23.0 t -94.12 -31.92 13.97 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.214 -0.929 . . . . 0.0 109.495 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 67.2 m -63.47 -34.51 77.93 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.247 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.9 -27.35 33.45 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.39 85.28 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.586 -0.696 . . . . 0.0 110.029 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 23' ' ' LYS . 70.0 m95 -111.98 172.59 6.81 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.725 -0.609 . . . . 0.0 109.932 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.62 132.22 47.11 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -65.1 -28.29 69.34 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.495 -0.753 . . . . 0.0 110.619 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.7 m -79.24 -43.73 23.18 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.079 -1.013 . . . . 0.0 108.996 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.6 -35.66 81.25 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.8 mt -72.87 -33.48 66.11 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -55.81 -52.38 64.2 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -63.98 -34.27 77.6 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.508 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 27.2 t80 -65.05 -31.19 72.29 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.751 -0.593 . . . . 0.0 109.773 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -73.19 -37.68 66.41 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.165 -0.959 . . . . 0.0 108.753 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.2 m -69.62 -35.69 75.48 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.509 -0.744 . . . . 0.0 109.768 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.49 ' HG3' HD13 ' A' ' 17' ' ' LEU . 53.1 mm-40 -73.63 -34.23 64.9 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 64' ' ' PHE . 77.1 mt -68.96 -44.2 73.43 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.644 -0.66 . . . . 0.0 109.654 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.526 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.3 t80 -74.94 -27.32 60.15 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.577 -0.702 . . . . 0.0 109.795 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -68.59 -50.48 51.3 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.14 -30.05 70.47 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.661 ' HG ' HG23 ' A' ' 60' ' ' ILE . 15.0 mt -68.33 -34.22 75.71 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.42 -0.8 . . . . 0.0 109.35 178.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -68.75 -42.16 77.91 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.454 -0.779 . . . . 0.0 109.076 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.56 -41.42 84.24 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.517 -0.739 . . . . 0.0 109.337 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.67 -33.18 75.05 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.724 -0.61 . . . . 0.0 109.705 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 100' ' ' ILE . 87.0 tt0 -74.17 -46.11 44.35 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 121.482 -0.761 . . . . 0.0 109.905 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.79 -42.01 57.58 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.693 -0.629 . . . . 0.0 109.978 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.487 ' SG ' HD12 ' A' ' 53' ' ' ILE . 76.3 m -62.76 -45.59 91.99 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 121.612 0.72 . . . . 0.0 109.17 177.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 80.9 t -65.36 -35.97 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 O-C-N 121.927 -0.483 . . . . 0.0 110.814 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 96' ' ' GLU . 76.7 mt -57.59 -53.89 38.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 O-C-N 121.27 -0.894 . . . . 0.0 109.958 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.618 ' HG3' ' CD2' ' A' ' 3' ' ' LEU . 72.0 mm-40 -78.49 -177.52 5.33 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 121.386 -0.821 . . . . 0.0 110.111 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.36 52.84 0.95 Allowed Glycine 0 C--O 1.216 -1.002 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.65 162.77 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 121.555 -0.968 . . . . 0.0 108.803 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.63 96.04 0.03 OUTLIER Glycine 0 CA--C 1.533 1.206 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.9 t -141.57 149.88 19.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 O-C-N 121.69 -0.889 . . . . 0.0 108.938 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.1 p -85.37 157.41 20.52 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 121.267 -0.895 . . . . 0.0 109.995 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -144.11 -47.48 0.27 Allowed 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.545 -0.722 . . . . 0.0 109.741 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.573 ' N ' ' HD2' ' A' ' 109' ' ' PRO . 34.2 m -53.58 -48.64 92.38 Favored Pre-proline 0 CA--C 1.543 0.7 0 O-C-N 121.683 -0.636 . . . . 0.0 110.946 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 108' ' ' THR . 39.6 Cg_endo -66.68 155.82 68.64 Favored 'Trans proline' 0 C--N 1.355 0.887 0 O-C-N 123.408 1.215 . . . . 0.0 111.099 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.26 -8.82 58.82 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.634 -0.666 . . . . 0.0 110.524 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.515 ' HA ' ' HB3' ' A' ' 114' ' ' ASP . 23.2 ptm -51.9 -30.49 24.37 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.218 -0.926 . . . . 0.0 110.557 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -52.11 -55.32 21.55 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.427 -0.796 . . . . 0.0 109.835 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 33.1 tt0 -88.35 -27.53 21.59 Favored 'General case' 0 C--O 1.209 -1.079 0 O-C-N 121.476 -0.765 . . . . 0.0 110.062 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.515 ' HB3' ' HA ' ' A' ' 111' ' ' MET . 35.7 t0 -58.55 -49.12 78.57 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.216 -0.928 . . . . 0.0 110.233 -178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.562 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 12.7 p -62.55 -43.64 98.32 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.384 -0.823 . . . . 0.0 109.926 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.577 HG12 ' HA ' ' A' ' 55' ' ' VAL . 64.6 mt -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.577 -0.702 . . . . 0.0 109.137 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 2.8 tt -65.48 -34.92 79.4 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.526 ' HA ' ' HE3' ' A' ' 121' ' ' LYS . . . -65.75 -48.7 70.98 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.8 t -65.31 -26.76 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 120' ' ' ARG . 7.3 tmm_? -68.08 -48.48 65.43 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.26 -0.9 . . . . 0.0 109.711 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' A' ' 118' ' ' ALA . 21.9 pttp -69.46 -25.46 64.1 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.247 -0.908 . . . . 0.0 109.345 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 76.2 t80 -67.87 -52.6 34.69 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.451 -0.781 . . . . 0.0 109.118 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.87 -27.13 66.41 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.639 -0.663 . . . . 0.0 109.783 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.33 -42.72 99.0 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -64.88 -36.77 85.42 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.655 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 61.8 mt -64.53 -37.93 81.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 121.476 -0.765 . . . . 0.0 109.419 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 21.7 m -66.94 -40.86 87.69 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.497 -0.752 . . . . 0.0 109.903 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.39 -35.47 71.05 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.423 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 46.1 t80 -64.41 -39.68 94.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.324 -0.86 . . . . 0.0 108.938 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.44 ' CD1' HD13 ' A' ' 66' ' ' LEU . 41.9 mt -65.21 -44.57 87.9 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.3 -23.68 63.84 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.257 -0.902 . . . . 0.0 109.816 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.37 -48.38 50.46 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.323 -0.861 . . . . 0.0 109.141 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.429 ' HG2' ' HB1' ' A' ' 139' ' ' ALA . 14.5 mptt -82.77 2.76 32.36 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.877 -0.514 . . . . 0.0 109.809 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? 61.86 37.82 15.09 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.871 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.472 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 68.9 m-85 60.6 51.87 4.83 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.664 -0.647 . . . . 0.0 110.042 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.458 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -80.07 161.73 64.54 Favored Pre-proline 0 C--O 1.218 -0.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.5 Cg_endo -68.72 -35.43 16.41 Favored 'Trans proline' 0 C--O 1.217 -0.568 0 O-C-N 123.761 1.401 . . . . 0.0 110.978 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.36 -38.54 68.52 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.388 -0.82 . . . . 0.0 109.065 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.429 ' HB1' ' HG2' ' A' ' 133' ' ' LYS . . . -64.13 -39.07 93.24 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.432 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 31.4 m95 -70.02 -32.88 71.25 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.57 -0.707 . . . . 0.0 109.742 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -63.52 -40.57 97.39 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.324 -0.86 . . . . 0.0 108.932 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.24 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 147' ' ' ILE . 98.7 t -69.87 -23.52 25.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 121.735 -0.603 . . . . 0.0 109.681 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.476 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 3.7 tmm_? -70.87 -48.28 54.7 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.147 -0.97 . . . . 0.0 108.728 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.12 72.58 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.66 -0.65 . . . . 0.0 109.299 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -74.3 -31.46 62.5 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.9 mm -81.0 -32.06 12.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 121.092 -1.005 . . . . 0.0 109.683 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.402 ' HG3' HD21 ' A' ' 15' ' ' LEU . 29.0 ttm -73.95 -38.98 64.07 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 149' ' ' ARG . 0.9 OUTLIER -71.07 -49.69 41.92 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.715 -0.616 . . . . 0.0 109.421 179.34 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.448 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.3 m -59.94 -44.57 94.3 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.459 ' HE2' HG12 ' A' ' 60' ' ' ILE . 28.9 t80 -62.81 -42.21 99.62 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.526 -0.734 . . . . 0.0 109.177 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 28.1 t -63.84 -34.1 77.18 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.461 -0.774 . . . . 0.0 109.381 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 149' ' ' ARG . 84.7 mt -69.74 -37.15 76.38 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.691 -0.63 . . . . 0.0 109.563 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 11.1 m -70.27 -25.72 63.48 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.584 -0.697 . . . . 0.0 109.835 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 69.2 p -104.19 1.39 30.58 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.464 -0.773 . . . . 0.0 109.726 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 152' ' ' SER . 43.8 t30 -81.39 3.41 24.52 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.189 -0.945 . . . . 0.0 110.57 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.56 -10.02 0.38 Allowed 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.09 -1.006 . . . . 0.0 111.712 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -55.04 -27.14 42.34 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.038 -1.039 . . . . 0.0 110.212 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.35 -13.64 51.72 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.651 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.539 ' O ' ' C ' ' A' ' 161' ' ' LEU . 32.2 t -66.64 -11.52 54.08 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.342 -0.849 . . . . 0.0 110.274 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' A' ' 160' ' ' SER . 94.6 mt 1.26 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.341 0.656 . . . . 0.0 112.341 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -120.62 51.79 1.21 Allowed 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.8 p -86.14 103.49 14.84 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 121.473 -0.767 . . . . 0.0 108.984 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -92.05 60.06 3.71 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.457 -0.777 . . . . 0.0 109.26 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.264 -179.784 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.617 0.722 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -150.49 85.92 1.39 Allowed 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.511 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.6 mm? -70.12 -56.97 6.53 Favored Pre-proline 0 C--O 1.215 -0.717 0 O-C-N 121.505 -0.747 . . . . 0.0 109.858 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.511 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 47.9 Cg_endo -74.63 160.13 41.64 Favored 'Trans proline' 0 C--N 1.354 0.834 0 O-C-N 123.449 1.236 . . . . 0.0 110.649 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -125.81 89.75 3.08 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.502 -0.749 . . . . 0.0 109.398 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 p -97.71 -70.16 0.73 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.38 -0.825 . . . . 0.0 109.414 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.49 165.5 25.36 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.451 -0.78 . . . . 0.0 109.496 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 t -160.66 131.48 5.46 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.529 -0.732 . . . . 0.0 109.602 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.9 mt -142.97 40.03 1.49 Allowed 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.33 -62.03 0.67 Allowed Glycine 0 C--O 1.216 -0.981 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.427 ' HB2' HG22 ' A' ' 155' ' ' THR . 67.6 p -63.81 -39.62 94.68 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.573 -0.957 . . . . 0.0 109.87 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -67.94 -35.37 78.32 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 11.4 tpp85 -71.14 -37.16 72.28 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.381 -0.824 . . . . 0.0 109.221 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.4 m -62.76 -45.75 91.22 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.494 -0.754 . . . . 0.0 109.022 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 148' ' ' MET . 98.8 mt -68.82 -32.31 71.93 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.716 -0.615 . . . . 0.0 109.448 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.2 ttp -64.09 -38.94 92.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 84' ' ' PHE . 92.1 mt -60.7 -43.96 97.14 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.456 HD12 HG23 ' A' ' 147' ' ' ILE . 48.9 mt -57.89 -42.15 84.06 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.828 -0.545 . . . . 0.0 109.902 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.54 96.59 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.523 -0.736 . . . . 0.0 109.71 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -67.08 -32.12 73.08 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.942 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.483 ' SD ' HD22 ' A' ' 81' ' ' LEU . 23.8 mtm -71.98 -23.92 61.5 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -41.59 127.68 3.12 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.586 -0.696 . . . . 0.0 110.757 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -102.8 -28.36 12.12 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.835 -0.54 . . . . 0.0 110.006 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.469 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -143.49 168.86 11.85 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 O-C-N 121.268 -0.895 . . . . 0.0 110.812 -177.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -84.09 139.61 32.36 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.567 ' O ' HD11 ' A' ' 30' ' ' LEU . 56.2 tp -56.72 -38.4 72.29 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.668 -0.645 . . . . 0.0 109.416 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.767 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 96.7 m-85 -59.29 -41.56 89.22 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.91 -34.35 74.54 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.469 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 73.6 m -99.32 50.55 0.94 Allowed 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.649 -0.657 . . . . 0.0 109.551 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.767 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -81.75 4.26 22.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 179.14 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -94.76 -26.7 16.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.268 -0.895 . . . . 0.0 109.262 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -112.78 22.93 13.99 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.444 -0.785 . . . . 0.0 110.353 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.686 ' HD3' HD13 ' A' ' 30' ' ' LEU . 40.8 ptt85 -86.3 110.11 19.42 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.895 -1.128 . . . . 0.0 109.39 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -137.3 136.29 37.87 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.437 -0.79 . . . . 0.0 109.239 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.28 119.58 21.83 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -73.47 -52.31 14.11 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.575 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.13 64.86 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 74.5 t80 -64.12 129.25 93.89 Favored Pre-proline 0 C--O 1.217 -0.611 0 O-C-N 121.565 -0.962 . . . . 0.0 108.811 178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.4 Cg_endo -75.42 66.28 6.38 Favored 'Trans proline' 0 C--N 1.351 0.664 0 O-C-N 123.712 1.375 . . . . 0.0 110.977 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -19.74 61.95 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.385 -0.822 . . . . 0.0 109.99 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -58.45 -28.29 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.151 -0.968 . . . . 0.0 108.921 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.549 ' HG3' ' HB3' ' A' ' 115' ' ' SER . 6.1 tp10 -98.92 33.71 2.28 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 177.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.542 ' O ' HD13 ' A' ' 157' ' ' LEU . 20.8 m-85 -142.27 -77.46 0.26 Allowed 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.548 ' HA2' ' CD1' ' A' ' 157' ' ' LEU . . . -53.23 -26.62 29.42 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 8.4 m120 -113.39 140.56 47.96 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.475 -1.015 . . . . 0.0 109.659 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 8.6 mm100 70.15 16.02 7.48 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.927 -0.483 . . . . 0.0 111.37 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 94.8 m-85 -152.23 112.61 4.09 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.007 -1.058 . . . . 0.0 109.265 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -167.52 36.59 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.217 -0.927 . . . . 0.0 110.231 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 22.7 tptm -177.16 70.5 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.243 -0.911 . . . . 0.0 108.783 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.79 36.64 24.86 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.546 -0.721 . . . . 0.0 109.603 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -106.49 -39.46 5.86 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.175 -0.953 . . . . 0.0 109.97 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 12.2 t -95.26 11.43 32.51 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 121.628 -0.67 . . . . 0.0 110.515 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.623 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 83.1 mt -56.9 -46.16 99.89 Favored Pre-proline 0 C--O 1.216 -0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.7 Cg_endo -64.15 -29.59 65.01 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.201 1.106 . . . . 0.0 110.19 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.619 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.5 t -73.76 -34.54 40.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.595 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 22.0 mt -68.05 -38.46 82.5 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.451 -0.781 . . . . 0.0 109.071 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.412 ' CD2' ' HB3' ' A' ' 96' ' ' GLU . 55.6 t-80 -65.59 -48.63 71.67 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.623 -0.673 . . . . 0.0 109.784 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HB3' HG21 ' A' ' 116' ' ' ILE . 1.7 mp0 -71.77 -28.21 63.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.315 -0.866 . . . . 0.0 110.253 -179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.478 ' HG3' HG12 ' A' ' 119' ' ' VAL . 10.2 ttt -71.59 -39.22 70.67 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.021 -1.05 . . . . 0.0 109.059 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.516 HG21 ' CD2' ' A' ' 88' ' ' LEU . 12.5 mt -73.11 -22.05 19.38 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.392 -0.818 . . . . 0.0 109.127 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -70.01 -38.72 76.02 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -69.58 -38.23 77.26 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.796 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.492 HG21 ' CE1' ' A' ' 67' ' ' PHE . 78.5 mt -70.97 -34.95 57.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.303 -0.873 . . . . 0.0 108.71 178.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' HA ' HD11 ' A' ' 88' ' ' LEU . 46.6 t80 -60.17 -44.12 95.29 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.652 -0.655 . . . . 0.0 109.649 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -78.45 -38.7 40.59 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.902 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.81 -32.44 69.36 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.427 -0.796 . . . . 0.0 109.553 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.492 ' CE1' HG21 ' A' ' 63' ' ' ILE . 18.4 m-85 -95.2 -26.14 16.1 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.894 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.8 t -75.54 -18.41 59.79 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.289 -0.882 . . . . 0.0 110.221 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.5 p -52.39 147.21 8.34 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.355 -0.841 . . . . 0.0 109.888 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -60.18 -25.33 65.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.3 m-20 -74.09 -44.2 54.91 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.44 -0.787 . . . . 0.0 109.562 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.478 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.6 t -74.3 -31.06 62.35 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.381 -0.824 . . . . 0.0 109.785 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.498 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.6 m -65.35 -32.53 74.22 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.55 -0.718 . . . . 0.0 109.42 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.73 -26.83 25.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.51 82.34 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.705 -0.622 . . . . 0.0 109.893 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -116.0 167.86 10.59 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.705 -0.622 . . . . 0.0 109.51 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -65.6 132.09 47.97 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.53 -27.72 69.35 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.487 -0.758 . . . . 0.0 110.339 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -77.88 -44.46 27.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.232 -0.917 . . . . 0.0 108.723 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 81.3 mt -62.86 -38.85 92.47 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.7 -33.48 70.94 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.74 -49.87 71.94 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -65.87 -36.03 82.28 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 31.6 t80 -64.53 -28.46 69.66 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.732 -0.605 . . . . 0.0 109.866 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -76.29 -43.34 42.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.988 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -66.31 -32.08 73.26 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.721 -0.612 . . . . 0.0 109.571 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.446 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -77.69 -34.02 53.04 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.398 -0.814 . . . . 0.0 109.08 178.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.516 ' CD2' HG21 ' A' ' 60' ' ' ILE . 43.4 mt -65.22 -39.91 93.38 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.341 -0.849 . . . . 0.0 108.895 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.517 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -75.7 -32.96 60.3 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.574 -0.704 . . . . 0.0 109.916 179.298 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -64.48 -47.57 78.46 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.035 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -69.12 -25.34 64.35 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.5 mt -72.09 -34.44 68.66 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -73.77 -35.49 64.98 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.303 -0.873 . . . . 0.0 109.088 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -68.64 -43.44 76.28 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 56' ' ' LEU . 62.0 mt -63.98 -47.36 80.68 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.025 0.44 . . . . 0.0 110.39 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 100' ' ' ILE . 21.7 pt-20 -69.52 -23.54 63.62 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.52 -0.737 . . . . 0.0 110.488 -179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.31 -43.95 68.0 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.336 -0.852 . . . . 0.0 109.521 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.498 ' SG ' HD11 ' A' ' 53' ' ' ILE . 95.7 m -61.84 -44.45 96.82 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.554 -0.716 . . . . 0.0 109.338 177.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.8 t -63.52 -34.36 67.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.963 -0.461 . . . . 0.0 110.199 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 96' ' ' GLU . 79.6 mt -65.81 -57.8 9.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 O-C-N 121.27 -0.893 . . . . 0.0 109.753 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -70.91 174.65 5.87 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.617 -0.677 . . . . 0.0 109.95 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.47 47.53 3.06 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.4 t -84.93 169.77 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 O-C-N 121.549 -0.971 . . . . 0.0 108.391 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.74 93.26 0.15 Allowed Glycine 0 C--O 1.214 -1.15 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 36.2 t -133.49 -115.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.8 p -58.1 120.02 7.85 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.233 -0.917 . . . . 0.0 109.438 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -176.47 -40.22 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.728 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 22.0 p -58.05 168.61 1.13 Allowed Pre-proline 0 CA--C 1.54 0.594 0 O-C-N 121.722 -0.611 . . . . 0.0 110.283 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.728 ' HD2' ' HB ' ' A' ' 108' ' ' THR . 33.6 Cg_endo -61.0 174.41 1.81 Allowed 'Trans proline' 0 C--N 1.353 0.785 0 O-C-N 123.775 1.408 . . . . 0.0 111.5 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.4 mt -42.62 -22.11 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.966 -0.459 . . . . 0.0 112.127 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.493 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 18.7 ptm -51.67 -25.18 6.71 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.231 -0.918 . . . . 0.0 110.374 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -57.56 -33.67 68.38 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.269 -0.895 . . . . 0.0 109.758 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -89.3 -27.85 20.26 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.337 -0.852 . . . . 0.0 109.211 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.15 -32.24 71.96 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.359 -0.838 . . . . 0.0 109.502 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.549 ' HB3' ' HG3' ' A' ' 42' ' ' GLU . 2.3 p -66.4 -45.06 81.23 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 108.908 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.619 HG12 ' HA ' ' A' ' 55' ' ' VAL . 79.1 mt -67.63 -36.52 76.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.6 mt -65.03 -33.31 75.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.783 -0.573 . . . . 0.0 109.649 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.429 ' C ' ' HG3' ' A' ' 39' ' ' PRO . . . -65.9 -45.98 79.99 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.478 HG12 ' HG3' ' A' ' 59' ' ' MET . 77.5 t -65.77 -28.77 44.96 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.5 -42.91 77.92 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.169 -0.957 . . . . 0.0 109.634 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 121' ' ' LYS . 3.2 tppp? -72.96 -31.61 64.68 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.436 -0.79 . . . . 0.0 109.1 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.581 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 55.9 t80 -64.12 -47.81 78.54 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.601 -0.687 . . . . 0.0 109.368 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -71.74 -28.39 63.63 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.794 -0.566 . . . . 0.0 109.987 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -63.34 -40.56 97.65 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -67.38 -39.65 85.66 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 122' ' ' TYR . 64.2 mt -60.49 -38.29 77.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 121.569 -0.707 . . . . 0.0 109.172 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 56.0 m -64.81 -38.21 90.2 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 109.159 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.39 -44.33 91.67 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -58.33 -37.14 74.54 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.779 -0.575 . . . . 0.0 109.485 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 32.3 mt -70.15 -42.41 72.58 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 121.695 -0.628 . . . . 0.0 109.554 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -71.0 -20.23 62.44 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.737 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -75.9 -51.38 12.61 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.211 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 133' ' ' LYS . 5.3 mptp? -81.03 4.31 20.14 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.873 -0.517 . . . . 0.0 109.793 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.45 38.91 22.47 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.684 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 90.2 m-85 62.05 52.57 3.25 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.691 -0.631 . . . . 0.0 110.286 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.468 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.9 m -79.94 162.25 62.96 Favored Pre-proline 0 C--O 1.218 -0.577 0 O-C-N 121.475 -0.765 . . . . 0.0 109.329 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.3 Cg_endo -69.61 -36.64 10.82 Favored 'Trans proline' 0 C--N 1.35 0.609 0 O-C-N 123.833 1.439 . . . . 0.0 111.221 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.94 -39.31 76.16 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.351 -0.843 . . . . 0.0 109.077 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.6 -41.26 92.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.479 -0.763 . . . . 0.0 109.035 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.478 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 18.4 m95 -67.3 -38.67 85.39 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.513 -0.742 . . . . 0.0 109.939 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.34 -36.71 81.98 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.412 -0.805 . . . . 0.0 109.375 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.585 HG23 ' HA ' ' A' ' 33' ' ' ARG . 41.5 t -67.54 -38.89 81.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.407 HG23 HG21 ' A' ' 126' ' ' ILE . 93.8 t -71.89 -23.75 22.35 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.439 ' C ' ' HD2' ' A' ' 144' ' ' ARG . 4.5 tmm_? -67.72 -48.84 65.37 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.54 75.94 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.662 -0.649 . . . . 0.0 109.413 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.08 -35.3 76.36 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.54 -0.725 . . . . 0.0 109.915 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.456 HG23 HD12 ' A' ' 18' ' ' LEU . 15.1 mm -77.27 -31.89 18.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.459 -0.776 . . . . 0.0 109.655 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.442 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 34.6 ttm -73.09 -37.59 66.7 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.392 -0.818 . . . . 0.0 108.84 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 149' ' ' ARG . 17.4 tpp180 -71.03 -49.86 40.31 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 121.611 -0.681 . . . . 0.0 109.357 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.537 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 73.5 p -61.2 -42.03 97.87 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.962 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.44 ' HB3' HD23 ' A' ' 15' ' ' LEU . 64.6 t80 -68.46 -34.89 76.75 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.383 -0.823 . . . . 0.0 109.645 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.5 t -68.82 -39.0 80.24 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 108.797 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.28 -41.15 98.98 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.595 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.9 m -66.12 -36.51 83.35 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.982 -0.449 . . . . 0.0 110.363 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.427 HG22 ' HB2' ' A' ' 11' ' ' SER . 69.2 p -94.79 0.81 55.22 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.184 -0.947 . . . . 0.0 110.652 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -82.56 -2.86 54.9 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 121.077 -1.015 . . . . 0.0 110.969 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.548 ' CD1' ' HA2' ' A' ' 44' ' ' GLY . 2.2 mm? -65.57 -40.49 92.84 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 120.666 -1.271 . . . . 0.0 109.539 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -81.16 -21.87 39.39 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.397 -0.814 . . . . 0.0 109.281 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.54 -2.01 56.51 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.377 -0.827 . . . . 0.0 110.575 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 29.6 t -91.67 67.19 5.4 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 121.233 -0.917 . . . . 0.0 109.938 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 8.6 mp -126.9 80.01 1.92 Allowed 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -125.34 -66.46 0.95 Allowed 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.453 -0.779 . . . . 0.0 110.109 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.1 t -103.81 140.55 37.5 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.19 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -117.59 53.1 0.95 Allowed 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.757 -179.614 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.645 0.736 . . . . 0.0 109.22 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -143.47 68.81 1.29 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.5 mm? -61.32 -54.58 51.68 Favored Pre-proline 0 C--O 1.217 -0.644 0 O-C-N 121.496 -0.752 . . . . 0.0 109.67 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 44.7 Cg_endo -73.4 109.55 2.87 Favored 'Trans proline' 0 C--N 1.354 0.821 0 O-C-N 123.559 1.294 . . . . 0.0 110.2 179.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -102.05 87.59 3.13 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.419 -0.801 . . . . 0.0 109.1 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.8 p -92.16 -58.37 2.41 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.08 157.33 34.81 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.444 -0.785 . . . . 0.0 109.194 178.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.3 p -155.41 107.83 2.68 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.475 -0.766 . . . . 0.0 109.67 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.546 HD13 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -150.06 43.16 0.87 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.469 -0.77 . . . . 0.0 109.118 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.6 -50.98 1.15 Allowed Glycine 0 C--O 1.216 -1.026 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.549 ' HB3' HG22 ' A' ' 155' ' ' THR . 55.3 m -62.91 -40.2 96.87 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.634 -0.921 . . . . 0.0 109.765 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -64.23 -37.73 88.53 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.531 -0.73 . . . . 0.0 109.3 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG2' HD13 ' A' ' 9' ' ' LEU . 38.5 mmm-85 -67.82 -31.26 70.99 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.281 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -62.96 -44.32 96.36 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 151' ' ' PHE . 82.9 mt -70.57 -33.6 71.27 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.733 -0.604 . . . . 0.0 109.577 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttp -64.15 -37.55 87.87 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.345 -0.847 . . . . 0.0 108.846 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 84' ' ' PHE . 78.3 mt -63.06 -45.61 91.38 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -57.38 -39.32 75.81 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.865 -0.522 . . . . 0.0 109.961 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.3 95.1 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.455 -0.778 . . . . 0.0 109.892 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -66.89 -24.65 66.13 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.449 -0.782 . . . . 0.0 110.382 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.509 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 19.6 mtm -77.47 -19.96 55.15 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 121.15 -0.969 . . . . 0.0 110.599 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -50.35 124.59 10.8 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.094 -1.004 . . . . 0.0 110.791 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.3 mptm? -103.08 -34.15 8.99 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.478 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 2.5 pt -130.81 171.19 18.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 121.571 0.701 . . . . 0.0 110.462 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -91.3 145.47 24.62 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.522 ' O ' HD11 ' A' ' 30' ' ' LEU . 59.9 tp -59.9 -35.66 75.34 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.581 -0.699 . . . . 0.0 109.14 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.732 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 85.6 m-85 -63.5 -40.51 97.27 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 t -60.19 -28.01 67.62 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.478 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 55.4 m -107.02 51.96 0.73 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.66 -0.65 . . . . 0.0 109.691 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.732 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -80.78 3.7 21.52 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.276 -0.89 . . . . 0.0 109.979 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -88.17 -30.1 20.02 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.278 -0.889 . . . . 0.0 108.657 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.33 18.04 19.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.792 -0.568 . . . . 0.0 110.023 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HA ' HG23 ' A' ' 142' ' ' VAL . 0.6 OUTLIER -71.36 107.62 4.4 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.005 -1.06 . . . . 0.0 108.82 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -144.36 129.62 18.75 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.7 129.36 34.41 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.514 -0.741 . . . . 0.0 109.202 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 61.7 m-85 -80.19 -34.42 37.45 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.465 -0.772 . . . . 0.0 109.761 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.05 77.07 1.25 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.461 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 88.7 t80 -76.91 130.16 76.67 Favored Pre-proline 0 C--O 1.218 -0.593 0 O-C-N 121.515 -0.991 . . . . 0.0 109.184 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 55.2 Cg_endo -80.75 70.48 7.51 Favored 'Trans proline' 0 C--N 1.352 0.712 0 O-C-N 123.743 1.391 . . . . 0.0 110.955 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB2' HD11 ' A' ' 153' ' ' LEU . 13.2 tt0 -72.0 -16.93 62.08 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.325 -0.86 . . . . 0.0 109.615 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -56.43 -33.37 65.79 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.246 -0.908 . . . . 0.0 108.671 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.617 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 1.3 tp10 -92.37 29.02 1.78 Allowed 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.426 -0.796 . . . . 0.0 109.644 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.626 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 40.0 m-85 -141.87 35.78 1.59 Allowed 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.511 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.91 -95.62 0.41 Allowed Glycine 0 C--O 1.217 -0.926 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.186 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -71.93 140.1 49.04 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.767 -0.843 . . . . 0.0 109.795 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 70.08 26.06 4.61 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.135 0.493 . . . . 0.0 109.852 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 42' ' ' GLU . 70.3 m-85 -138.16 57.93 1.69 Allowed 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.106 -0.996 . . . . 0.0 108.85 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -151.94 164.47 37.07 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.543 -0.723 . . . . 0.0 109.105 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 62.27 56.98 2.06 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.531 -0.731 . . . . 0.0 109.117 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.72 66.56 0.67 Allowed 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.705 -0.622 . . . . 0.0 109.642 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -136.96 -49.45 0.63 Allowed 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.445 -0.784 . . . . 0.0 109.667 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.496 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -85.38 -4.86 59.29 Favored 'General case' 0 C--O 1.21 -0.996 0 O-C-N 121.849 -0.532 . . . . 0.0 110.176 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.582 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 23.4 mt -50.48 -47.9 82.85 Favored Pre-proline 0 C--O 1.216 -0.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.999 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.4 Cg_endo -64.11 -33.62 60.72 Favored 'Trans proline' 0 C--N 1.354 0.861 0 O-C-N 123.15 1.079 . . . . 0.0 110.545 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.626 ' CG1' ' CZ ' ' A' ' 43' ' ' PHE . 47.3 t -70.98 -42.79 77.01 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.578 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 44.0 mt -64.75 -30.89 71.91 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.0 -47.09 66.39 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.452 -0.78 . . . . 0.0 109.694 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -74.18 -28.22 61.18 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 ttt -73.8 -43.39 59.01 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.202 -0.936 . . . . 0.0 109.242 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.476 HG12 ' HE1' ' A' ' 151' ' ' PHE . 10.1 mt -71.77 -22.34 21.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.41 -0.806 . . . . 0.0 109.137 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -38.11 65.43 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.92 -40.51 83.35 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.581 HG22 ' CE1' ' A' ' 67' ' ' PHE . 66.4 mt -67.72 -34.61 68.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.447 ' HA ' HD11 ' A' ' 88' ' ' LEU . 25.1 t80 -56.9 -48.84 77.26 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.686 -0.634 . . . . 0.0 109.777 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -76.98 -34.78 57.53 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.497 -0.752 . . . . 0.0 109.945 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.45 -33.49 71.35 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.516 -0.74 . . . . 0.0 109.779 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.581 ' CE1' HG22 ' A' ' 63' ' ' ILE . 60.1 m-85 -99.09 -23.18 15.35 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.534 -0.728 . . . . 0.0 110.09 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -75.36 -19.88 59.31 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.217 -0.927 . . . . 0.0 110.222 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.8 p -54.76 149.44 11.16 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.088 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -22.94 67.14 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.649 -0.657 . . . . 0.0 109.771 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.503 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.2 m-20 -74.85 -37.5 62.2 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.455 -0.778 . . . . 0.0 109.441 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.418 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 15.4 t -78.36 -31.34 48.49 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.485 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.555 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 99.2 p -68.3 -33.56 74.55 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 121.593 -0.692 . . . . 0.0 109.534 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.6 -17.49 44.58 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.29 31.68 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.447 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 69.3 m95 -118.59 170.77 8.68 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.718 -0.614 . . . . 0.0 109.733 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.41 ' HB2' HD11 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -61.78 130.53 46.21 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -66.16 -28.22 68.61 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.453 -0.78 . . . . 0.0 110.233 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -77.97 -44.8 25.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.136 -0.978 . . . . 0.0 108.738 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 77' ' ' ASP . 95.7 mt -62.58 -38.07 88.68 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.555 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.4 -33.61 69.63 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.87 -53.42 56.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -65.19 -35.61 81.61 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 17' ' ' LEU . 45.0 t80 -62.56 -29.18 70.39 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.795 -0.566 . . . . 0.0 109.514 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.0 m-85 -74.67 -42.26 58.79 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.216 -0.928 . . . . 0.0 109.108 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.8 m -65.41 -34.28 77.93 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.734 -0.604 . . . . 0.0 109.803 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.39 -34.61 65.62 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.411 -0.806 . . . . 0.0 109.364 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 60' ' ' ILE . 68.8 mt -69.65 -40.6 76.38 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.555 -0.716 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.514 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.0 t80 -76.17 -32.1 58.87 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.493 -0.754 . . . . 0.0 109.921 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -51.88 59.88 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.67 -30.26 71.39 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 11.7 mt -68.93 -33.17 73.29 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.646 -0.659 . . . . 0.0 109.694 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -70.09 -42.42 72.76 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.233 -0.917 . . . . 0.0 109.36 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.51 -47.05 74.2 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.434 -0.791 . . . . 0.0 109.048 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.65 -40.56 88.13 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.583 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 100' ' ' ILE . 82.1 tt0 -74.18 -37.12 64.03 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 121.383 -0.823 . . . . 0.0 110.096 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.79 -44.38 63.42 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.749 -0.594 . . . . 0.0 110.018 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.516 ' HB2' HG23 ' A' ' 53' ' ' ILE . 91.0 m -57.42 -44.19 84.42 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 121.788 0.804 . . . . 0.0 108.857 177.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.53 -30.6 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.224 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 96' ' ' GLU . 39.8 mm -65.83 -57.95 8.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 O-C-N 121.158 -0.964 . . . . 0.0 110.072 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -69.38 -178.01 1.28 Allowed 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.527 -0.733 . . . . 0.0 110.159 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -87.84 46.3 3.42 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.25 167.76 2.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.49 75.99 0.52 Allowed Glycine 0 CA--C 1.532 1.141 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.6 t -122.84 14.43 5.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 121.633 -0.922 . . . . 0.0 109.338 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.9 p -156.93 116.88 3.5 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 179.55 -48.06 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.666 -0.646 . . . . 0.0 109.302 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.682 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 74.8 p -62.87 166.9 6.77 Favored Pre-proline 0 C--O 1.219 -0.546 0 O-C-N 121.719 -0.613 . . . . 0.0 109.876 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.682 ' HD2' ' HB ' ' A' ' 108' ' ' THR . 36.6 Cg_endo -64.01 173.71 4.65 Favored 'Trans proline' 0 C--N 1.351 0.696 0 O-C-N 123.83 1.437 . . . . 0.0 111.143 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -49.26 -12.84 0.06 Allowed 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.843 -0.536 . . . . 0.0 112.339 -177.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.562 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 24.8 ptm -57.38 -18.91 19.9 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 120.839 -1.163 . . . . 0.0 110.462 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -31.33 66.75 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.13 -0.982 . . . . 0.0 109.756 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -84.14 -24.43 30.22 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.257 -0.902 . . . . 0.0 109.103 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.88 -28.31 69.75 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.442 -0.786 . . . . 0.0 110.12 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.617 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 13.3 p -68.29 -45.07 74.08 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.053 -1.029 . . . . 0.0 108.41 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.589 HG12 ' HA ' ' A' ' 55' ' ' VAL . 71.5 mt -69.73 -37.37 73.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.458 HD22 ' HD3' ' A' ' 120' ' ' ARG . 1.2 mt -64.41 -30.71 71.75 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.18 -49.58 66.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.14 -27.35 42.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.921 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.458 ' HD3' HD22 ' A' ' 117' ' ' LEU . 59.9 ttt-85 -69.39 -41.23 76.75 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.47 -38.28 77.65 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.392 -0.817 . . . . 0.0 109.247 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.534 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 39.1 t80 -64.44 -46.82 81.52 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.39 -23.8 61.95 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.713 -0.617 . . . . 0.0 109.997 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -66.97 -39.59 87.26 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -69.45 -37.15 77.21 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 122' ' ' TYR . 59.8 mt -65.23 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 O-C-N 121.484 -0.76 . . . . 0.0 109.497 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 58.7 m -67.11 -42.97 83.64 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.499 -0.751 . . . . 0.0 109.68 -178.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.3 tp -67.48 -35.92 80.11 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.473 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 26.0 t80 -59.96 -40.71 89.94 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.83 -38.72 80.04 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 127' ' ' THR . 2.0 mmmp? -69.11 -27.58 65.71 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.055 -1.028 . . . . 0.0 109.387 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -70.48 -57.45 4.77 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.501 -0.75 . . . . 0.0 109.031 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.7 mptp? -75.98 -0.16 20.62 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 134' ' ' LYS . 29.4 mmmt 58.02 47.07 15.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.377 -0.827 . . . . 0.0 109.655 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.503 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 99.4 m-85 58.11 54.9 5.54 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 121.376 0.608 . . . . 0.0 110.339 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -81.69 162.02 59.36 Favored Pre-proline 0 C--O 1.217 -0.635 0 O-C-N 121.377 -0.827 . . . . 0.0 109.368 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.6 Cg_endo -68.66 -38.3 10.89 Favored 'Trans proline' 0 C--N 1.35 0.62 0 O-C-N 123.8 1.421 . . . . 0.0 111.372 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.35 -38.53 68.55 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.6 88.15 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.418 -0.801 . . . . 0.0 108.965 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.418 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.2 m95 -69.69 -34.13 73.5 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 121.529 -0.732 . . . . 0.0 109.641 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.89 -46.39 85.07 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.338 -0.851 . . . . 0.0 109.319 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.546 HG23 ' HA ' ' A' ' 33' ' ' ARG . 53.0 t -62.9 -38.5 82.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.464 HG23 HG22 ' A' ' 126' ' ' ILE . 64.0 t -72.36 -25.55 23.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 O-C-N 121.593 -0.692 . . . . 0.0 109.705 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -46.35 66.49 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.185 -0.947 . . . . 0.0 109.044 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.82 71.19 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.439 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 44.9 mm-40 -69.16 -36.08 77.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.604 -0.685 . . . . 0.0 109.855 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 147' ' ' ILE . 14.7 mm -76.57 -33.24 22.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.287 -0.883 . . . . 0.0 109.739 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.2 ttm -72.22 -39.94 68.17 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.43 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -74.09 -42.2 60.5 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.391 -0.818 . . . . 0.0 109.736 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.448 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.8 m -66.01 -40.2 90.9 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.441 -0.787 . . . . 0.0 109.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.581 ' CE2' HG22 ' A' ' 155' ' ' THR . 60.1 t80 -64.86 -38.67 91.76 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.486 -0.759 . . . . 0.0 109.271 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.4 t -65.47 -38.53 90.08 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 40' ' ' GLN . 72.2 mt -64.04 -31.2 72.3 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 109.824 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.578 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 41.4 m -79.94 -27.73 39.76 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.288 -0.883 . . . . 0.0 110.055 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.581 HG22 ' CE2' ' A' ' 151' ' ' PHE . 76.6 p -96.61 -0.61 48.34 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.371 -0.831 . . . . 0.0 110.632 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.26 -7.85 49.68 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.063 . . . . 0.0 110.243 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.19 -37.38 83.59 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 120.942 -1.099 . . . . 0.0 109.238 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -75.53 -31.01 59.95 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.468 -0.77 . . . . 0.0 109.561 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.73 0.64 56.86 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.464 -0.773 . . . . 0.0 110.622 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 74.4 m -46.16 -46.73 17.5 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.593 -0.692 . . . . 0.0 110.146 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.96 99.41 6.82 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -118.98 -65.65 1.15 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.471 -0.768 . . . . 0.0 109.742 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 87.8 p -136.32 168.69 18.95 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.377 -0.827 . . . . 0.0 110.064 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -135.69 81.02 1.86 Allowed 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.427 -179.732 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 71.2 m . . . . . 0 N--CA 1.493 1.725 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -89.05 67.07 8.0 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.404 -0.81 . . . . 0.0 109.597 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.668 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -139.53 -66.09 0.02 OUTLIER Pre-proline 0 C--O 1.216 -0.675 0 O-C-N 121.299 -0.876 . . . . 0.0 109.103 179.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.668 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 54.5 Cg_endo -87.74 154.44 7.47 Favored 'Trans proline' 0 C--N 1.357 1.014 0 O-C-N 123.425 1.224 . . . . 0.0 110.222 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -120.53 52.94 1.13 Allowed 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.336 -0.853 . . . . 0.0 108.792 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -150.62 52.0 0.88 Allowed 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -87.14 175.41 8.09 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.128 -0.983 . . . . 0.0 109.957 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t 179.74 159.94 0.79 Allowed 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.2 tp -70.38 106.3 3.34 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.222 -0.924 . . . . 0.0 108.537 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.38 -28.93 4.41 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' HG23 ' A' ' 155' ' ' THR . 45.7 p -65.29 -45.76 83.13 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.31 -1.112 . . . . 0.0 109.899 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 tpt85 -66.12 -35.47 80.58 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.567 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 19.7 mmt85 -70.24 -33.56 71.79 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.446 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -69.37 -41.45 76.5 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.191 -0.943 . . . . 0.0 108.785 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' A' ' 148' ' ' MET . 87.7 mt -70.52 -33.35 71.08 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.664 -0.647 . . . . 0.0 110.363 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.567 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.2 ptm -70.53 -31.13 68.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.794 -1.191 . . . . 0.0 108.903 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 84' ' ' PHE . 96.8 mt -62.67 -43.37 98.98 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 144' ' ' ARG . 75.6 mt -58.75 -43.16 90.23 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.3 74.82 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.527 -0.733 . . . . 0.0 109.656 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.94 -29.43 65.45 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.511 -0.743 . . . . 0.0 109.58 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.505 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 55.6 mtp -73.54 -19.3 60.94 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.484 -0.76 . . . . 0.0 110.8 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttp85 -71.77 110.21 6.16 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.888 -1.132 . . . . 0.0 109.208 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -90.36 -36.97 14.33 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.549 -0.72 . . . . 0.0 109.687 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.689 HG13 ' CG ' ' A' ' 141' ' ' GLU . 3.2 pt -109.81 161.4 8.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 121.732 0.777 . . . . 0.0 110.425 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.1 m -83.04 144.09 30.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 63.3 tp -62.4 -35.27 78.7 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 121.545 -0.722 . . . . 0.0 109.462 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.816 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 62.2 m-85 -66.14 -39.25 89.7 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.371 -0.831 . . . . 0.0 108.897 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -59.41 -40.19 85.89 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' HD13 ' A' ' 24' ' ' ILE . 18.0 m -111.74 51.15 0.8 Allowed 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.816 ' HB3' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -108.96 7.96 26.15 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.524 -176.318 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -82.62 -33.53 27.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -99.74 17.21 21.22 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.58 -0.7 . . . . 0.0 110.124 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HD3' ' HB2' ' A' ' 30' ' ' LEU . 33.4 ptt180 -82.13 151.52 26.94 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 120.872 -1.142 . . . . 0.0 110.941 -177.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CE1' ' CE1' ' A' ' 129' ' ' TYR . 13.8 p-80 177.2 149.44 0.15 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.73 126.98 31.64 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.317 -0.865 . . . . 0.0 109.285 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.542 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 78.4 m-85 -70.92 -35.99 72.49 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.543 -0.723 . . . . 0.0 109.556 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.05 55.72 0.1 OUTLIER Glycine 0 C--O 1.217 -0.954 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 87.3 t80 -68.76 124.89 91.18 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.47 -1.018 . . . . 0.0 108.754 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -78.68 66.47 8.6 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 O-C-N 123.879 1.462 . . . . 0.0 111.052 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' HG3' ' CD2' ' A' ' 153' ' ' LEU . 0.0 OUTLIER -70.32 -20.88 62.97 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.268 -0.895 . . . . 0.0 109.618 178.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -59.81 -31.0 69.3 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.518 ' HG3' ' CE2' ' A' ' 47' ' ' PHE . 4.7 tt0 -93.06 22.31 5.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 11.3 m-85 -136.13 23.05 3.27 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.447 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.19 -52.83 0.04 OUTLIER Glycine 0 C--O 1.217 -0.909 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 10.9 m120 -101.81 147.4 26.54 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.837 -0.802 . . . . 0.0 109.033 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 14.4 mm100 64.8 15.98 10.16 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.719 -0.613 . . . . 0.0 110.04 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.627 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 84.3 m-85 -148.87 72.57 1.18 Allowed 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.36 -0.837 . . . . 0.0 108.753 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -142.78 34.65 1.41 Allowed 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.037 -1.039 . . . . 0.0 110.343 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -169.2 79.22 0.12 Allowed 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.308 -0.87 . . . . 0.0 108.831 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . . . 60.14 20.76 10.04 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.737 -0.602 . . . . 0.0 110.125 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 59.9 mm-40 -94.08 -37.23 11.72 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.245 -0.909 . . . . 0.0 109.168 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.627 ' CG2' ' HB3' ' A' ' 47' ' ' PHE . 6.4 p -82.23 -25.87 33.76 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 121.746 -0.596 . . . . 0.0 110.14 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.495 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 62.5 mt -42.68 -51.4 12.01 Favored Pre-proline 0 N--CA 1.476 0.872 0 O-C-N 121.42 -0.8 . . . . 0.0 111.755 -178.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.3 Cg_endo -65.37 -35.49 39.64 Favored 'Trans proline' 0 C--N 1.354 0.83 0 O-C-N 123.1 1.053 . . . . 0.0 110.565 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.544 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.1 t -71.7 -31.88 43.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.575 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.4 mt -73.18 -29.95 63.19 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -68.15 -46.57 70.41 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.456 -0.777 . . . . 0.0 109.027 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HG3' HG22 ' A' ' 116' ' ' ILE . 61.3 mm-40 -76.92 -26.96 54.68 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.345 -0.847 . . . . 0.0 109.802 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -45.45 74.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 108.626 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.556 HG22 ' CD2' ' A' ' 88' ' ' LEU . 5.6 mt -73.67 -23.23 19.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 121.766 -0.584 . . . . 0.0 109.496 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -73.24 -36.35 66.41 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -71.29 -37.76 71.83 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.647 -0.658 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.444 HG22 ' CE1' ' A' ' 67' ' ' PHE . 77.8 mt -71.81 -32.87 46.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.513 ' HA ' HD11 ' A' ' 88' ' ' LEU . 27.3 t80 -60.8 -46.37 90.79 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.484 -0.76 . . . . 0.0 109.658 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -76.98 -36.89 56.1 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.591 -0.693 . . . . 0.0 109.911 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.8 -29.78 70.38 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 121.412 -0.805 . . . . 0.0 109.747 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CE1' HG22 ' A' ' 63' ' ' ILE . 21.4 m-85 -97.56 -25.0 15.3 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.278 -0.889 . . . . 0.0 109.947 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -75.33 -21.87 58.07 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.35 -0.844 . . . . 0.0 110.182 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.6 p -53.18 148.37 8.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.383 -0.823 . . . . 0.0 110.016 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -65.45 -26.94 68.18 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.652 -0.655 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.6 p30 -71.94 -18.41 62.01 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.39 -0.819 . . . . 0.0 109.756 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.48 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.9 m -102.77 -31.77 10.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.387 -0.82 . . . . 0.0 109.619 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 70.8 m -65.12 -30.3 71.22 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.633 -0.667 . . . . 0.0 109.293 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.58 -30.68 24.82 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.99 86.03 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.523 -0.736 . . . . 0.0 110.035 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.452 ' HB2' HD13 ' A' ' 81' ' ' LEU . 69.3 m95 -114.59 175.48 5.47 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.612 -0.68 . . . . 0.0 109.698 -178.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.38 138.91 47.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.251 -0.906 . . . . 0.0 108.952 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -27.65 66.38 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.044 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -78.89 -43.91 23.89 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.229 -0.92 . . . . 0.0 108.866 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 99.0 mt -63.63 -37.53 87.67 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.545 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.3 mt -72.31 -33.22 67.21 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -55.75 -53.35 57.7 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 83' ' ' LYS . 27.2 mmmt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.586 ' HA ' HD12 ' A' ' 17' ' ' LEU . 12.3 t80 -63.34 -34.34 77.5 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.602 -0.686 . . . . 0.0 109.233 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.17 -31.45 64.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.229 -0.92 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -70.12 -41.06 74.47 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.515 -0.74 . . . . 0.0 109.71 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.474 ' CG ' HD13 ' A' ' 17' ' ' LEU . 62.5 mm-40 -75.63 -30.01 59.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.163 -0.961 . . . . 0.0 109.636 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.556 ' CD2' HG22 ' A' ' 60' ' ' ILE . 75.0 mt -70.92 -37.74 72.91 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.154 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.53 -33.24 48.09 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.534 -0.729 . . . . 0.0 109.981 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -71.01 -47.59 57.86 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 109.123 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.507 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 5.5 tp60 -64.15 -34.55 78.32 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 mt -62.92 -43.27 99.25 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.46 -53.14 61.48 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.978 -0.451 . . . . 0.0 111.391 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' OD1' ' HA ' ' A' ' 91' ' ' GLN . 5.0 p-10 -65.36 -46.2 81.09 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.743 -1.223 . . . . 0.0 109.167 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.0 mt -52.42 -35.16 51.28 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.973 0.416 . . . . 0.0 109.96 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.456 ' O ' HG12 ' A' ' 100' ' ' ILE . 88.4 tt0 -74.92 -37.46 62.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 121.361 -0.837 . . . . 0.0 109.87 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.91 -50.47 63.88 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.63 -0.669 . . . . 0.0 109.77 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.471 ' SG ' HD12 ' A' ' 53' ' ' ILE . 16.6 m -57.24 -39.07 74.8 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.554 -0.716 . . . . 0.0 109.605 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.13 -33.71 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 121.634 -0.666 . . . . 0.0 110.184 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 96' ' ' GLU . 39.5 mm -55.52 -54.8 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 O-C-N 121.356 -0.84 . . . . 0.0 109.609 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.07 -175.56 4.12 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.533 -0.729 . . . . 0.0 109.91 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.93 58.56 0.39 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.1 t -93.81 42.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 O-C-N 121.555 -0.968 . . . . 0.0 109.374 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 50' ' ' ALA . . . 110.47 13.34 15.03 Favored Glycine 0 CA--C 1.538 1.491 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.9 t -113.9 131.9 64.45 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 O-C-N 121.161 -1.2 . . . . 0.0 108.689 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.419 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 58.5 p -121.0 166.72 13.44 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.494 -0.754 . . . . 0.0 109.769 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -143.61 -24.82 0.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.586 -0.696 . . . . 0.0 111.206 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.579 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 63.8 m -55.64 -54.11 55.15 Favored Pre-proline 0 C--O 1.216 -0.664 0 O-C-N 121.074 -1.016 . . . . 0.0 110.924 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.636 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 49.5 Cg_endo -72.81 143.39 37.05 Favored 'Trans proline' 0 C--N 1.352 0.754 0 O-C-N 123.369 1.194 . . . . 0.0 110.845 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -71.98 -9.67 58.7 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.559 -0.713 . . . . 0.0 110.476 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.636 ' HG2' ' HB2' ' A' ' 109' ' ' PRO . 20.0 ptm -55.9 -33.13 64.35 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.236 -0.915 . . . . 0.0 110.256 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 106' ' ' THR . 32.1 mmmt -68.43 -36.14 78.62 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.407 -0.808 . . . . 0.0 109.672 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 31.0 tp10 -81.41 -22.16 38.44 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 121.306 -0.871 . . . . 0.0 109.519 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.32 -39.27 93.56 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.233 -0.917 . . . . 0.0 109.589 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.486 ' HB2' HG23 ' A' ' 55' ' ' VAL . 6.0 p -63.71 -47.56 80.63 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.41 -0.807 . . . . 0.0 109.013 178.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.544 HG12 ' HA ' ' A' ' 55' ' ' VAL . 82.4 mt -66.18 -34.91 73.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 1.1 tt -64.37 -34.31 77.87 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.83 85.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.24 -24.65 30.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -69.02 -47.08 66.33 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -28.13 65.4 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.406 -0.809 . . . . 0.0 109.395 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 58.6 t80 -67.71 -50.07 59.43 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.493 -0.755 . . . . 0.0 109.084 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.2 -25.53 62.56 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.693 -0.629 . . . . 0.0 110.217 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -65.39 -41.01 94.13 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -67.6 -38.16 83.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.5 HG22 HD11 ' A' ' 126' ' ' ILE . 65.6 mt -63.84 -37.36 79.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 O-C-N 121.623 -0.673 . . . . 0.0 109.728 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.6 m -66.47 -43.37 85.67 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.164 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.55 -32.73 74.26 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.423 ' CE1' ' CE1' ' A' ' 34' ' ' HIS . 78.6 t80 -62.87 -45.37 92.89 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.731 -0.606 . . . . 0.0 109.373 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 57.9 mt -63.42 -39.57 94.83 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -74.6 -18.44 60.56 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.266 -0.897 . . . . 0.0 109.7 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -77.35 -51.18 11.27 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.253 -0.905 . . . . 0.0 108.902 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -80.77 1.55 29.91 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.792 -0.568 . . . . 0.0 109.584 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.46 40.71 16.83 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.795 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 59.0 m-85 60.04 51.72 5.62 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.656 -0.653 . . . . 0.0 110.082 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.46 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -75.84 162.31 72.45 Favored Pre-proline 0 C--O 1.217 -0.613 0 O-C-N 121.392 -0.818 . . . . 0.0 109.046 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.1 Cg_endo -68.95 -42.75 3.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 O-C-N 123.65 1.342 . . . . 0.0 110.993 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 27.9 m -68.64 -39.06 80.89 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.16 77.89 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.685 -0.634 . . . . 0.0 109.349 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.48 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 20.8 m95 -72.31 -29.14 63.57 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 121.58 -0.7 . . . . 0.0 110.354 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.689 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.3 tm-20 -73.59 -36.96 65.61 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.086 -1.009 . . . . 0.0 108.72 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.7 -44.17 98.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 147' ' ' ILE . 42.6 t -71.62 -27.41 28.21 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 141' ' ' GLU . 8.5 tpt85 -61.23 -54.16 47.72 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.21 -31.93 73.06 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.4 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 21.1 mm-40 -71.63 -30.91 66.29 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.595 -0.691 . . . . 0.0 110.11 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.6 mm -78.81 -32.78 15.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.458 ' HG3' HD21 ' A' ' 15' ' ' LEU . 27.8 ttm -73.75 -39.69 64.04 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.343 -0.848 . . . . 0.0 108.899 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -70.8 -45.17 65.11 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 121.562 -0.711 . . . . 0.0 109.257 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.484 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 95.5 p -63.27 -38.28 90.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.634 -0.666 . . . . 0.0 109.671 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.42 ' HE2' HG12 ' A' ' 60' ' ' ILE . 38.0 t80 -68.81 -42.19 77.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.0 t -67.36 -32.86 74.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.408 -0.807 . . . . 0.0 109.379 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 40' ' ' GLN . 38.0 mt -71.02 -36.13 72.27 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 24.5 m -69.55 -38.62 77.52 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.771 -0.581 . . . . 0.0 109.707 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.413 HG23 ' CB ' ' A' ' 11' ' ' SER . 80.4 p -93.4 1.57 56.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.476 -0.765 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -60.27 -18.15 47.23 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.246 -0.909 . . . . 0.0 110.856 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.55 -39.72 81.03 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.001 -1.062 . . . . 0.0 108.897 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -81.85 -33.55 30.59 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.57 -0.706 . . . . 0.0 109.302 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -65.45 -27.65 68.66 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.444 -0.785 . . . . 0.0 110.086 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 32.7 t -101.9 73.58 1.41 Allowed 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 29.0 tp -97.35 95.01 7.39 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.406 -0.809 . . . . 0.0 108.945 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -95.83 -55.71 2.91 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.472 -0.768 . . . . 0.0 109.496 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.7 t -134.99 133.12 39.13 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.423 -0.798 . . . . 0.0 109.531 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -135.01 78.94 1.76 Allowed 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.427 -179.513 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.2 t . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.739 0.78 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -140.25 93.1 2.59 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.1 mm? -77.4 -56.66 1.16 Allowed Pre-proline 0 C--O 1.216 -0.672 0 O-C-N 121.453 -0.779 . . . . 0.0 109.749 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.6 Cg_endo -73.83 112.55 3.56 Favored 'Trans proline' 0 C--N 1.356 0.95 0 O-C-N 123.487 1.257 . . . . 0.0 109.989 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -77.34 71.62 3.84 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 121.623 0.725 . . . . 0.0 109.711 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.9 p -108.24 -24.26 11.58 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.332 -0.855 . . . . 0.0 110.0 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -77.55 179.37 6.57 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.672 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.7 p -105.19 165.24 11.24 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.46 -0.775 . . . . 0.0 109.44 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -88.55 121.79 31.31 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.318 -0.864 . . . . 0.0 109.626 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.69 -15.08 80.84 Favored Glycine 0 CA--C 1.537 1.424 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.404 ' HB3' HG22 ' A' ' 155' ' ' THR . 71.1 m -60.85 -31.39 70.83 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.515 -0.991 . . . . 0.0 109.752 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -66.67 -43.58 84.13 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.489 -0.757 . . . . 0.0 109.819 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.7 ttp180 -74.11 -31.81 62.94 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.347 -0.846 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.455 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 21.0 m -61.93 -45.7 92.56 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.221 -0.924 . . . . 0.0 108.881 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HG3' ' A' ' 148' ' ' MET . 69.9 mt -69.25 -32.59 71.89 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.688 -0.632 . . . . 0.0 109.491 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 ttp -65.0 -35.08 80.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.374 -0.828 . . . . 0.0 108.846 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 84' ' ' PHE . 97.5 mt -66.48 -42.41 87.53 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.24 -34.55 75.33 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.671 -0.643 . . . . 0.0 109.53 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.59 -46.87 74.54 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.625 -0.672 . . . . 0.0 109.298 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -69.09 -18.97 64.05 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.49 -0.756 . . . . 0.0 109.787 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.51 ' O ' ' CZ3' ' A' ' 76' ' ' TRP . 43.3 mtp -88.04 29.97 0.89 Allowed 'General case' 0 C--O 1.207 -1.149 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 24' ' ' ILE . 33.6 ttm-85 -102.64 117.29 34.35 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 120.868 -1.145 . . . . 0.0 108.72 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.39 -31.53 13.96 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.466 -0.772 . . . . 0.0 109.574 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 2.4 pt -129.1 171.51 16.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 121.629 -0.669 . . . . 0.0 109.474 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.0 m -94.42 147.1 23.57 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.9 tp -64.51 -32.13 73.64 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.36 -39.34 92.19 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -65.91 -26.53 67.65 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.438 -0.789 . . . . 0.0 109.304 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.4 m -106.66 46.75 0.91 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.6 mt -86.68 -2.34 58.45 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.159 -0.963 . . . . 0.0 109.839 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -82.55 -29.45 30.33 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.442 -0.786 . . . . 0.0 108.994 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -117.02 30.08 7.54 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.685 -0.635 . . . . 0.0 109.496 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HA ' HG23 ' A' ' 142' ' ' VAL . 42.9 ttt-85 -79.77 122.56 26.76 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.087 -1.008 . . . . 0.0 109.228 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -139.17 121.05 15.49 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.606 -0.684 . . . . 0.0 109.367 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -78.17 138.68 38.81 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.39 -0.819 . . . . 0.0 109.243 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.519 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 55.0 m-85 -92.53 -45.17 8.25 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.522 -0.736 . . . . 0.0 109.441 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 68.54 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 68.7 t80 -64.29 133.2 95.57 Favored Pre-proline 0 C--O 1.217 -0.634 0 O-C-N 121.587 -0.949 . . . . 0.0 108.784 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.7 Cg_endo -79.66 69.85 7.76 Favored 'Trans proline' 0 C--N 1.351 0.709 0 O-C-N 123.711 1.374 . . . . 0.0 111.29 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.461 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 5.0 tm0? -77.49 -20.7 53.94 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.432 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.28 -32.72 62.62 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.26 41.53 1.11 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 4.1 m-85 -147.5 15.84 1.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.244 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.57 -9.41 3.23 Favored Glycine 0 CA--C 1.539 1.58 0 O-C-N 120.886 -1.134 . . . . 0.0 111.463 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -134.04 134.14 42.05 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 120.877 -1.366 . . . . 0.0 109.563 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 66.67 35.4 5.26 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.685 -0.635 . . . . 0.0 109.358 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.621 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 53.8 m-85 -136.88 36.49 2.61 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.282 -0.886 . . . . 0.0 109.679 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -125.86 171.54 10.62 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER 57.67 43.53 22.1 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.366 -0.834 . . . . 0.0 109.443 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 65.82 77.82 0.28 Allowed 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.569 -0.707 . . . . 0.0 109.975 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -137.59 -49.71 0.6 Allowed 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.444 -0.785 . . . . 0.0 109.116 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.621 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 12.3 t -91.36 7.55 40.48 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.931 -0.481 . . . . 0.0 110.107 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 43.2 mt -58.07 -43.69 98.65 Favored Pre-proline 0 C--O 1.213 -0.84 0 O-C-N 120.952 -1.092 . . . . 0.0 110.151 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.95 -25.83 51.85 Favored 'Trans proline' 0 C--N 1.356 0.968 0 O-C-N 123.206 1.109 . . . . 0.0 110.238 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.696 ' HA ' HG12 ' A' ' 116' ' ' ILE . 5.2 t -74.41 -45.68 45.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.545 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 41.1 mt -63.04 -36.94 85.25 Favored 'General case' 0 C--O 1.21 -1.002 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 61.9 t-80 -61.22 -47.65 85.1 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.723 -0.611 . . . . 0.0 109.652 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.449 ' HG3' HG22 ' A' ' 116' ' ' ILE . 60.5 mm-40 -69.94 -28.84 65.91 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.465 -0.772 . . . . 0.0 109.758 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.1 ttt -68.59 -36.96 79.42 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.339 -0.85 . . . . 0.0 108.717 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.575 HG21 ' CD2' ' A' ' 88' ' ' LEU . 8.3 mm -67.21 -36.76 77.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 121.454 -0.778 . . . . 0.0 108.982 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -72.08 -35.35 69.21 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.606 -0.684 . . . . 0.0 109.404 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -67.64 -41.96 83.03 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.362 -0.836 . . . . 0.0 108.929 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.448 HG22 ' CE1' ' A' ' 67' ' ' PHE . 85.3 mt -71.82 -27.35 27.51 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.592 ' HA ' HD11 ' A' ' 88' ' ' LEU . 44.9 t80 -66.82 -45.98 76.6 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 121.343 -0.848 . . . . 0.0 109.607 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -74.98 -36.11 62.04 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.536 -0.728 . . . . 0.0 109.567 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.4 tp -63.15 -30.49 71.63 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.488 -0.758 . . . . 0.0 109.269 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CE1' HG22 ' A' ' 63' ' ' ILE . 6.7 m-85 -99.74 -12.59 19.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.625 -0.672 . . . . 0.0 110.296 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -86.66 -20.25 28.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.11 -0.993 . . . . 0.0 109.768 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 p -53.7 147.17 12.01 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.963 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -64.36 -25.1 67.88 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.49 -0.756 . . . . 0.0 109.72 179.44 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.478 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.5 m-20 -72.16 -39.01 69.03 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.524 -0.735 . . . . 0.0 109.027 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.457 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 84.0 p -77.35 -32.37 55.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.681 -0.637 . . . . 0.0 109.405 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.495 ' HA ' HD13 ' A' ' 81' ' ' LEU . 32.9 t -66.95 -33.07 74.77 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.317 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.79 -24.63 33.31 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -33.27 66.69 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' MET . 63.5 m95 -119.55 174.18 6.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.566 -0.709 . . . . 0.0 109.852 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.72 131.17 44.14 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.375 -0.828 . . . . 0.0 108.865 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.14 -26.52 68.57 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.518 -0.739 . . . . 0.0 110.183 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.9 m -78.53 -46.32 19.8 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.218 -0.926 . . . . 0.0 108.856 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.4 -36.52 82.58 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.99 -34.72 69.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.459 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -55.34 -49.07 73.18 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.599 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.8 -37.68 86.92 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 88' ' ' LEU . 28.7 t80 -63.25 -26.79 68.95 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.955 -0.465 . . . . 0.0 109.765 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 22.7 m-85 -75.57 -49.47 18.49 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.042 -1.036 . . . . 0.0 108.996 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.0 m -62.58 -31.19 71.97 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.776 -0.578 . . . . 0.0 109.489 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 14' ' ' THR . 16.5 tp10 -71.11 -40.05 71.71 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.392 -0.818 . . . . 0.0 109.077 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.592 HD11 ' HA ' ' A' ' 64' ' ' PHE . 67.8 mt -63.82 -44.9 91.86 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.611 -0.68 . . . . 0.0 109.291 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-85 -69.29 -28.94 66.72 Favored 'General case' 0 C--O 1.213 -0.868 0 O-C-N 121.346 -0.846 . . . . 0.0 110.084 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.58 -50.56 64.67 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.249 -0.907 . . . . 0.0 108.561 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.27 -25.78 67.03 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 18.1 mt -71.28 -34.0 70.26 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.458 -0.776 . . . . 0.0 109.235 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.85 -43.11 72.59 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.392 -0.818 . . . . 0.0 109.175 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -66.83 -45.95 76.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.496 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 57' ' ' HIS . 63.6 mt -64.73 -33.8 76.83 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.855 -0.528 . . . . 0.0 110.227 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.494 ' HG2' HG13 ' A' ' 100' ' ' ILE . 87.7 tt0 -76.12 -30.19 58.12 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.555 -0.715 . . . . 0.0 110.038 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.23 -47.89 65.46 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.442 -0.786 . . . . 0.0 110.237 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.404 ' SG ' HD11 ' A' ' 53' ' ' ILE . 1.5 t -61.13 -45.13 95.94 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.433 -0.792 . . . . 0.0 109.216 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.18 -35.46 73.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 O-C-N 122.092 -0.38 . . . . 0.0 110.348 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.494 HG13 ' HG2' ' A' ' 96' ' ' GLU . 97.3 mt -67.42 -53.08 35.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 121.19 -0.944 . . . . 0.0 109.53 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -70.0 166.1 20.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.326 0.584 . . . . 0.0 110.037 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -92.44 47.71 2.59 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 1' ' ' CYS . 21.9 t -83.09 166.07 2.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 O-C-N 121.465 -1.021 . . . . 0.0 108.57 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.94 113.92 3.63 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.1 t -142.4 152.24 18.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 O-C-N 121.647 -0.913 . . . . 0.0 108.58 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.1 p -66.22 129.37 39.6 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.4 -0.812 . . . . 0.0 109.71 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -158.08 -51.46 0.07 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.579 -0.701 . . . . 0.0 109.855 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.501 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 86.8 m -61.67 -52.39 69.62 Favored Pre-proline 0 C--O 1.217 -0.612 0 O-C-N 121.589 -0.694 . . . . 0.0 110.664 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.501 ' HD3' ' HB ' ' A' ' 108' ' ' THR . 42.3 Cg_endo -68.76 169.17 18.19 Favored 'Trans proline' 0 C--N 1.354 0.864 0 O-C-N 123.435 1.229 . . . . 0.0 111.23 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.423 ' C ' ' CD2' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.54 -8.26 59.62 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.593 -0.692 . . . . 0.0 110.719 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.7 ptm -79.68 12.01 2.83 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.945 -1.097 . . . . 0.0 110.628 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 112' ' ' LYS . 6.8 ttpm? -56.05 -53.44 56.99 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.067 -1.021 . . . . 0.0 109.344 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -117.52 12.47 14.13 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.519 -0.738 . . . . 0.0 110.18 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -68.01 -37.65 81.68 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.029 -1.044 . . . . 0.0 108.809 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.597 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 47.7 m -64.9 -41.61 95.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.696 HG12 ' HA ' ' A' ' 55' ' ' VAL . 55.4 mt -65.96 -33.29 62.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.84 -33.65 76.08 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.17 69.79 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.17 -23.28 30.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.4 ttt85 -70.86 -45.19 64.9 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.33 -0.856 . . . . 0.0 109.388 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.97 -32.18 70.27 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.425 -0.797 . . . . 0.0 108.903 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 71.5 t80 -63.63 -52.39 61.03 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -68.45 -27.92 66.59 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.757 -0.589 . . . . 0.0 110.232 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -63.7 -40.66 97.34 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -70.17 -34.08 72.56 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 122' ' ' TYR . 62.7 mt -65.65 -36.54 77.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 O-C-N 121.423 -0.798 . . . . 0.0 109.108 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.0 m -66.78 -43.76 83.16 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.421 -0.799 . . . . 0.0 109.217 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.9 -34.74 78.82 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 139' ' ' ALA . 89.2 t80 -59.48 -47.02 87.12 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.32 -37.16 82.25 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.02 -29.21 67.33 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.376 -0.827 . . . . 0.0 109.55 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.58 -52.15 28.76 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 136' ' ' SER . 14.9 mptt -82.25 3.38 27.69 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.84 -0.537 . . . . 0.0 109.839 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? 55.91 47.43 20.08 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.383 -0.823 . . . . 0.0 109.463 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 92.5 m-85 56.72 54.87 6.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.601 0.715 . . . . 0.0 109.88 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.495 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 36.9 t -80.56 152.64 72.96 Favored Pre-proline 0 C--O 1.215 -0.721 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.495 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.0 Cg_endo -63.24 -38.57 43.55 Favored 'Trans proline' 0 C--N 1.353 0.764 0 O-C-N 123.55 1.289 . . . . 0.0 110.819 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -71.69 -36.93 70.75 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.504 ' HB3' ' CE2' ' A' ' 129' ' ' TYR . . . -64.5 -41.77 96.24 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.591 -0.693 . . . . 0.0 109.148 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.457 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 19.8 m95 -66.03 -34.81 78.92 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.951 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.38 -42.95 87.17 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.113 -0.992 . . . . 0.0 108.772 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' A' ' 33' ' ' ARG . 75.5 t -59.9 -43.46 92.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 147' ' ' ILE . 62.8 t -68.69 -27.72 37.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.059 0 O-C-N 121.69 -0.631 . . . . 0.0 109.787 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.21 -52.06 51.68 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.171 -0.956 . . . . 0.0 108.699 178.508 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.21 71.32 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -75.72 -30.25 59.21 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.509 -0.744 . . . . 0.0 109.996 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.4 mm -80.34 -35.29 15.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 121.414 -0.804 . . . . 0.0 109.54 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.542 ' HG3' HD21 ' A' ' 15' ' ' LEU . 31.9 ttm -73.22 -37.97 66.21 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -70.91 -48.91 51.08 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.603 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 89.4 p -61.12 -37.96 84.65 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.78 -0.575 . . . . 0.0 109.749 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.466 ' CE2' HG22 ' A' ' 155' ' ' THR . 37.3 t80 -68.11 -41.95 81.02 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.523 -0.735 . . . . 0.0 109.591 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.3 m -65.8 -33.37 75.7 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.461 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 78.8 mt -69.91 -33.71 72.52 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.699 -0.626 . . . . 0.0 109.687 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.545 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 4.2 m -78.78 -27.47 44.55 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.193 -0.942 . . . . 0.0 109.591 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.466 HG22 ' CE2' ' A' ' 151' ' ' PHE . 68.9 p -99.07 1.21 45.01 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.702 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -73.66 -2.07 21.6 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.803 -1.186 . . . . 0.0 110.836 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 47' ' ' PHE . 4.3 mm? -52.51 -46.75 66.81 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 120.971 -1.08 . . . . 0.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -25.15 60.31 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.334 -0.854 . . . . 0.0 109.677 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -72.61 -17.31 61.7 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.407 -0.808 . . . . 0.0 110.262 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.6 m -78.63 -57.42 3.77 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.383 -0.823 . . . . 0.0 109.356 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 96.3 mt -105.4 125.64 51.22 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.471 -0.768 . . . . 0.0 109.145 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -69.45 -59.51 2.94 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.548 -0.72 . . . . 0.0 109.834 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 28.1 t -132.54 138.99 47.68 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.441 -0.787 . . . . 0.0 109.824 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -145.12 84.35 1.71 Allowed 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 118.255 -0.878 . . . . 0.0 109.341 -179.641 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.573 0.701 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -138.0 68.74 1.39 Allowed 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 4.5 mm? -59.28 -52.85 71.52 Favored Pre-proline 0 C--O 1.217 -0.628 0 O-C-N 121.545 -0.722 . . . . 0.0 109.841 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 48.3 Cg_endo -73.59 146.98 39.82 Favored 'Trans proline' 0 C--N 1.355 0.871 0 O-C-N 123.463 1.244 . . . . 0.0 110.289 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -91.24 78.82 5.76 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.35 -0.844 . . . . 0.0 108.973 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.5 p -142.2 59.46 1.46 Allowed 'General case' 0 C--O 1.218 -0.576 0 CA-C-O 121.335 0.588 . . . . 0.0 109.591 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.52 160.9 30.11 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.267 -0.896 . . . . 0.0 109.613 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -94.38 177.09 6.06 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.624 -0.673 . . . . 0.0 109.673 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.5 mt -87.04 76.41 9.34 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.335 -0.853 . . . . 0.0 109.423 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.29 -33.16 72.8 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m -63.71 -35.39 80.42 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.649 -0.912 . . . . 0.0 109.721 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -66.82 -38.78 87.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.521 -0.737 . . . . 0.0 109.38 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 16' ' ' MET . 55.3 mtm-85 -67.17 -35.33 79.45 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.341 -0.849 . . . . 0.0 109.16 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.5 m -63.27 -41.3 99.0 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.383 -0.823 . . . . 0.0 109.24 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 151' ' ' PHE . 22.2 mt -71.59 -31.18 66.66 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.591 . . . . 0.0 110.07 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -66.12 -32.16 73.45 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.273 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.501 ' CD1' ' HA ' ' A' ' 84' ' ' PHE . 73.1 mt -64.79 -45.57 85.73 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD11 HD22 ' A' ' 15' ' ' LEU . 81.8 mt -58.74 -39.87 82.17 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.899 -0.501 . . . . 0.0 109.869 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.41 98.51 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.441 -0.787 . . . . 0.0 109.885 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -75.2 -24.56 57.8 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.534 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 51.0 mtp -73.41 -19.28 61.01 Favored 'General case' 0 C--O 1.207 -1.156 0 O-C-N 121.29 -0.881 . . . . 0.0 110.774 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -68.71 118.83 12.2 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 120.844 -1.16 . . . . 0.0 109.693 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.9 mptp? -96.01 -34.71 11.66 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.689 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.558 HG13 ' HG3' ' A' ' 141' ' ' GLU . 3.1 pt -118.63 170.53 7.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 O-C-N 121.498 -0.751 . . . . 0.0 110.216 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -101.29 156.68 17.3 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.536 -0.727 . . . . 0.0 110.029 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.07 -30.45 69.64 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -68.22 -38.15 81.58 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -67.98 -31.04 70.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.5 m -108.36 52.78 0.7 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.586 -0.697 . . . . 0.0 109.807 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -78.71 -1.97 37.07 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.067 -1.02 . . . . 0.0 110.254 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -76.97 -29.76 55.68 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.42 21.44 17.42 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.704 -0.622 . . . . 0.0 110.147 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.65 105.2 1.82 Allowed 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.067 -1.021 . . . . 0.0 109.249 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -147.21 122.31 10.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -82.14 126.05 31.6 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.381 -0.824 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.42 ' HB2' ' HE1' ' A' ' 122' ' ' TYR . 46.0 m-85 -76.61 -51.13 12.18 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.4 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.42 76.0 0.72 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.543 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.1 t80 -73.19 131.09 83.68 Favored Pre-proline 0 C--O 1.217 -0.615 0 O-C-N 121.491 -1.005 . . . . 0.0 108.712 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.543 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.5 Cg_endo -82.07 74.18 5.34 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 O-C-N 123.653 1.344 . . . . 0.0 111.191 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.73 -14.42 59.61 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.545 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.89 -32.71 69.75 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.102 -0.999 . . . . 0.0 109.112 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HG2' ' CA ' ' A' ' 115' ' ' SER . 1.6 tp10 -96.29 30.57 2.46 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.47 -0.768 . . . . 0.0 108.982 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.625 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 9.4 m-85 -138.75 53.61 1.77 Allowed 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.399 -0.813 . . . . 0.0 108.832 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 157' ' ' LEU . . . -152.74 -90.99 0.08 OUTLIER Glycine 0 C--O 1.217 -0.939 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -70.55 142.91 51.74 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.8 -0.824 . . . . 0.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 66.83 19.31 10.69 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.785 -0.572 . . . . 0.0 109.849 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 66.0 m-85 -142.09 34.65 1.54 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.194 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -131.87 28.77 4.49 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.29 -0.881 . . . . 0.0 109.845 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 11.4 mmmm -147.77 55.23 1.06 Allowed 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.0 30.79 19.8 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.762 -0.586 . . . . 0.0 109.694 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -101.06 -36.98 8.79 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.264 -0.897 . . . . 0.0 109.975 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.568 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 6.1 t -90.02 9.05 29.49 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.72 -0.613 . . . . 0.0 110.312 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.625 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 59.4 mt -60.25 -43.11 92.69 Favored Pre-proline 0 C--O 1.214 -0.792 0 O-C-N 121.026 -1.047 . . . . 0.0 110.514 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -65.91 -29.82 49.27 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 123.133 1.07 . . . . 0.0 110.106 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.722 ' HA ' HG12 ' A' ' 116' ' ' ILE . 11.8 t -73.38 -37.04 50.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.582 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 46.7 mt -71.67 -28.66 63.88 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 121.601 -0.687 . . . . 0.0 109.437 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.48 -40.65 70.12 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.36 -0.837 . . . . 0.0 108.949 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.463 ' HB3' HG21 ' A' ' 116' ' ' ILE . 15.8 tp10 -75.88 -33.67 59.97 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.09 -47.21 71.9 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.282 -0.886 . . . . 0.0 108.998 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.496 HG12 ' HE1' ' A' ' 151' ' ' PHE . 6.7 mt -72.84 -20.87 19.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 121.707 -0.621 . . . . 0.0 109.582 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -76.07 -34.96 59.58 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -74.99 -33.28 61.82 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.677 -0.639 . . . . 0.0 109.339 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.482 HD11 HG22 ' A' ' 63' ' ' ILE . 76.8 mt -76.35 -33.19 23.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 68' ' ' SER . 37.0 t80 -63.37 -44.6 94.34 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.518 -0.739 . . . . 0.0 109.431 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -79.53 -37.9 35.5 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.487 -0.758 . . . . 0.0 109.552 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.73 -32.16 68.96 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.462 -0.774 . . . . 0.0 109.469 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.476 ' CD1' HG21 ' A' ' 63' ' ' ILE . 9.3 m-85 -96.01 -27.86 14.92 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.639 -0.663 . . . . 0.0 109.982 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.5 t -72.63 -20.86 61.2 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -53.52 147.57 10.76 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.981 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -61.44 -22.44 65.03 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.691 -0.631 . . . . 0.0 110.082 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -76.27 -40.73 51.06 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.361 -0.837 . . . . 0.0 109.295 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.471 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 26.4 t -78.88 -29.82 44.63 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.434 -0.791 . . . . 0.0 109.149 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 28.8 t -66.23 -36.46 83.1 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.642 -0.661 . . . . 0.0 109.219 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.32 -27.44 32.24 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.89 71.47 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.549 -0.72 . . . . 0.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.483 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 65.3 m95 -119.83 170.18 9.46 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.384 -0.822 . . . . 0.0 109.912 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -66.48 133.68 50.89 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.38 -0.825 . . . . 0.0 108.797 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.21 -30.29 71.17 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.716 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -77.68 -43.55 30.86 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.08 -1.013 . . . . 0.0 109.155 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.4 -35.72 81.34 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -73.39 -32.53 64.51 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.42 -51.88 67.95 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.441 ' HD2' HD22 ' A' ' 17' ' ' LEU . 34.0 ttmt -64.53 -34.43 78.21 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.501 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 35.7 t80 -63.95 -33.09 74.93 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.771 -0.58 . . . . 0.0 109.601 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -73.22 -34.11 65.73 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 121.269 -0.894 . . . . 0.0 109.236 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.7 m -66.46 -42.13 88.04 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -32.15 69.46 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 60' ' ' ILE . 75.0 mt -70.35 -38.2 74.77 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.484 -0.76 . . . . 0.0 109.787 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -78.91 -33.18 45.74 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.636 -0.665 . . . . 0.0 110.644 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.56 -41.78 68.65 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -31.18 68.99 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.02 -44.56 79.95 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.6 -0.687 . . . . 0.0 109.559 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -61.53 -41.8 97.86 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.637 -0.664 . . . . 0.0 109.391 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -65.18 -43.59 91.19 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.522 -0.736 . . . . 0.0 109.279 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.498 HD21 HG21 ' A' ' 53' ' ' ILE . 73.8 mt -62.9 -33.88 76.25 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.879 -0.513 . . . . 0.0 110.011 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' O ' HG13 ' A' ' 100' ' ' ILE . 35.8 tt0 -75.72 -33.46 60.29 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 121.51 -0.744 . . . . 0.0 109.726 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.48 -43.7 68.4 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.479 -0.763 . . . . 0.0 109.584 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.521 ' SG ' HD12 ' A' ' 53' ' ' ILE . 51.5 m -62.51 -44.63 95.89 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.482 -0.761 . . . . 0.0 109.322 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.75 -38.27 81.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.862 -0.524 . . . . 0.0 110.462 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 96' ' ' GLU . 96.9 mt -62.8 -51.12 76.0 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 O-C-N 121.332 -0.855 . . . . 0.0 109.559 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -72.52 -177.04 2.09 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.742 -0.599 . . . . 0.0 110.173 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.02 -15.69 65.4 Favored Glycine 0 CA--C 1.538 1.529 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.34 160.32 4.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 O-C-N 121.113 -1.228 . . . . 0.0 109.13 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.97 -104.63 0.26 Allowed Glycine 0 C--O 1.215 -1.04 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.459 ' CG1' ' HG3' ' A' ' 112' ' ' LYS . 27.6 m -120.46 156.48 23.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 O-C-N 121.417 -1.049 . . . . 0.0 110.242 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 43.8 p -114.89 -147.81 0.42 Allowed 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 108' ' ' THR . 46.4 mt-10 -50.43 -22.83 2.06 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.646 -0.659 . . . . 0.0 110.969 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 107' ' ' GLU . 32.7 m -29.03 128.82 0.23 Allowed Pre-proline 0 N--CA 1.478 0.941 0 O-C-N 122.045 -0.409 . . . . 0.0 111.515 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.75 174.66 7.28 Favored 'Trans proline' 0 C--N 1.352 0.715 0 O-C-N 124.153 1.607 . . . . 0.0 111.686 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 34.3 tp -50.08 -13.25 0.1 Allowed 'General case' 0 CA--C 1.548 0.883 0 O-C-N 121.913 -0.492 . . . . 0.0 111.586 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -51.67 -22.45 3.44 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.919 -1.113 . . . . 0.0 110.263 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.499 ' HD2' ' C ' ' A' ' 112' ' ' LYS . 3.6 tmmm? -57.34 -50.74 72.0 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.219 -0.925 . . . . 0.0 108.647 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.41 -31.14 72.22 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 121.616 -0.678 . . . . 0.0 109.246 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.26 -28.67 69.34 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.447 -0.783 . . . . 0.0 109.854 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.534 ' CA ' ' HG2' ' A' ' 42' ' ' GLU . 32.4 t -71.24 -40.13 71.24 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 121.267 -0.895 . . . . 0.0 108.773 178.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.722 HG12 ' HA ' ' A' ' 55' ' ' VAL . 28.0 mt -75.23 -37.88 40.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -32.24 73.84 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.99 66.09 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.15 -26.59 40.16 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.9 ttm-85 -71.54 -44.18 65.06 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.203 -0.935 . . . . 0.0 109.886 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.13 -30.94 63.97 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.302 -0.874 . . . . 0.0 109.289 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.434 ' OH ' ' HB3' ' A' ' 146' ' ' GLU . 36.1 t80 -67.03 -47.93 69.88 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.563 -0.71 . . . . 0.0 109.167 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -69.25 -27.53 65.53 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.702 -0.624 . . . . 0.0 109.827 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -63.93 -40.53 96.68 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -67.59 -39.06 84.84 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.472 HG22 HG23 ' A' ' 143' ' ' VAL . 64.6 mt -59.99 -40.78 84.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 24.8 m -65.63 -42.07 91.9 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.44 -37.01 85.64 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.453 -0.779 . . . . 0.0 109.443 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.416 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 19.9 t80 -64.69 -38.23 90.29 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.1 mt -66.31 -37.9 86.45 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 127' ' ' THR . 32.0 mmtp -69.12 -32.26 71.53 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.98 -50.88 60.89 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.562 -0.712 . . . . 0.0 109.997 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.543 ' HB3' ' CB ' ' A' ' 136' ' ' SER . 5.5 mptp? -83.99 4.43 29.85 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.718 -0.614 . . . . 0.0 110.022 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 54.82 48.32 20.36 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.428 -0.795 . . . . 0.0 109.231 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 58.28 56.59 4.38 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.596 -0.69 . . . . 0.0 109.881 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.543 ' CB ' ' HB3' ' A' ' 133' ' ' LYS . 46.9 t -83.95 148.94 55.2 Favored Pre-proline 0 C--O 1.216 -0.687 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.414 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.4 Cg_endo -65.26 -33.15 49.8 Favored 'Trans proline' 0 C--N 1.353 0.773 0 O-C-N 123.66 1.347 . . . . 0.0 111.176 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.98 -42.71 72.74 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.456 -0.778 . . . . 0.0 108.959 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.415 ' HB3' ' HG2' ' A' ' 133' ' ' LYS . . . -65.23 -40.04 93.55 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.483 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 17.2 m95 -63.2 -36.7 84.52 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.708 -0.62 . . . . 0.0 109.811 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.558 ' HG3' HG13 ' A' ' 24' ' ' ILE . 15.8 tm-20 -65.58 -41.99 92.25 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.1 t -63.23 -35.63 72.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.472 HG23 HG22 ' A' ' 126' ' ' ILE . 59.5 t -75.6 -23.92 16.84 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 121.689 -0.632 . . . . 0.0 109.523 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.476 ' HA ' ' NH1' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -66.45 -54.25 26.22 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.31 78.03 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.434 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 5.8 mm-40 -70.01 -35.82 74.66 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.622 -0.674 . . . . 0.0 110.407 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -76.24 -30.98 20.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 109.869 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 30.0 ttm -72.52 -38.98 67.91 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.392 -0.818 . . . . 0.0 109.12 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -73.38 -46.85 46.54 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.539 -0.725 . . . . 0.0 109.513 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.407 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 68.7 m -60.91 -42.98 99.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.711 -0.618 . . . . 0.0 109.952 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.496 ' HE1' HG12 ' A' ' 60' ' ' ILE . 51.3 t80 -66.31 -41.45 89.67 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.419 -0.8 . . . . 0.0 110.103 -179.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.464 ' HB3' HD12 ' A' ' 15' ' ' LEU . 78.2 p -68.34 -31.7 71.28 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.372 -0.83 . . . . 0.0 109.438 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 33.2 mt -69.41 -40.94 77.0 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.456 -0.778 . . . . 0.0 109.608 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.582 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 74.4 m -73.68 -30.36 62.84 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.716 -0.615 . . . . 0.0 110.322 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 81.8 p -97.86 -0.75 44.48 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.217 -0.927 . . . . 0.0 111.008 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.63 1.69 25.26 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 120.822 -1.174 . . . . 0.0 110.372 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.493 ' CD1' ' HA2' ' A' ' 44' ' ' GLY . 4.3 mm? -69.35 -28.84 66.56 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 120.961 -1.087 . . . . 0.0 110.068 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -79.91 -35.01 38.52 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.207 -0.933 . . . . 0.0 109.634 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 160' ' ' SER . 36.6 tp10 -82.51 -28.84 30.84 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.326 -0.859 . . . . 0.0 109.957 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.526 ' C ' ' O ' ' A' ' 159' ' ' GLU . 74.0 m 2.75 87.35 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.929 0.892 . . . . 0.0 112.41 -178.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.46 101.55 0.18 Allowed 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.25 -49.03 0.13 Allowed 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.421 -0.799 . . . . 0.0 109.013 -178.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 80.7 p -64.69 159.54 21.91 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.558 -0.714 . . . . 0.0 109.726 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -98.22 52.35 1.04 Allowed 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.427 -0.796 . . . . 0.0 109.632 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.417 179.609 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.515 0.674 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -113.13 66.23 0.65 Allowed 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 121.314 0.578 . . . . 0.0 109.86 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.592 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.2 mm? -83.14 -56.79 0.45 Allowed Pre-proline 0 C--O 1.216 -0.665 0 O-C-N 121.422 -0.798 . . . . 0.0 108.949 178.316 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.592 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 54.6 Cg_endo -81.69 156.01 18.37 Favored 'Trans proline' 0 C--N 1.355 0.888 0 O-C-N 123.584 1.307 . . . . 0.0 110.458 178.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -114.68 77.73 1.09 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.303 -0.873 . . . . 0.0 108.934 179.38 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.1 p -122.25 -23.94 5.18 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.5 -0.75 . . . . 0.0 110.875 -178.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -86.59 -179.51 6.62 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 120.978 -1.076 . . . . 0.0 110.045 -178.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -103.05 177.7 4.76 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.611 -0.681 . . . . 0.0 109.473 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -82.28 105.21 13.17 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.88 -30.32 63.73 Favored Glycine 0 CA--C 1.534 1.248 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 p -62.77 -41.26 99.16 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.434 -1.039 . . . . 0.0 109.841 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.81 -38.31 88.6 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.611 -0.681 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -70.21 -36.22 74.41 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.384 -0.823 . . . . 0.0 109.735 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.1 m -60.34 -45.58 92.95 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.429 -0.794 . . . . 0.0 109.116 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 151' ' ' PHE . 21.6 mt -67.19 -34.43 77.51 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.738 -0.601 . . . . 0.0 109.439 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -63.12 -37.93 89.16 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.315 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 84' ' ' PHE . 85.2 mt -61.76 -43.62 98.5 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.613 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 76.8 mt -58.16 -35.05 70.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.708 -0.62 . . . . 0.0 109.839 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.37 -34.67 72.87 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.41 -0.807 . . . . 0.0 109.814 179.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.76 -50.32 44.46 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.314 -0.866 . . . . 0.0 110.496 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.613 ' SD ' ' HA ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -63.78 -18.17 63.81 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.359 -0.838 . . . . 0.0 110.934 -178.581 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -52.28 109.07 0.35 Allowed 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.244 -0.91 . . . . 0.0 109.418 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 0.9 OUTLIER -92.88 -36.75 12.64 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.698 -0.626 . . . . 0.0 109.811 -179.738 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.606 HG13 ' CG ' ' A' ' 141' ' ' GLU . 3.2 pt -124.07 170.38 14.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.541 -0.724 . . . . 0.0 110.002 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -104.01 159.9 15.28 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.61 -0.681 . . . . 0.0 109.875 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.7 tp -68.82 -28.11 66.46 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.16 -37.97 78.49 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.487 -0.758 . . . . 0.0 109.119 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -68.2 -28.7 67.49 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.408 -0.807 . . . . 0.0 108.885 177.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.463 ' SG ' HD11 ' A' ' 24' ' ' ILE . 58.2 m -109.57 51.87 0.74 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.599 -0.688 . . . . 0.0 109.96 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 72.2 mt -81.31 -2.67 49.94 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 179.072 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -79.02 -33.53 44.77 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -111.08 25.32 11.88 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.875 -0.516 . . . . 0.0 109.779 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.498 ' HA ' HG23 ' A' ' 142' ' ' VAL . 60.6 ttp180 -74.3 112.13 10.16 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 120.973 -1.079 . . . . 0.0 109.071 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -146.25 115.0 6.86 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -78.52 129.1 34.46 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 71.8 m-85 -75.27 -44.77 44.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.534 -0.729 . . . . 0.0 109.703 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.87 78.61 1.02 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.55 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 91.8 t80 -67.46 133.67 92.94 Favored Pre-proline 0 C--O 1.217 -0.61 0 O-C-N 121.621 -0.929 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.3 Cg_endo -82.43 70.82 6.8 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 O-C-N 123.718 1.378 . . . . 0.0 111.091 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -73.53 -15.71 61.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 177.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.35 -33.1 69.18 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.27 -0.894 . . . . 0.0 109.494 178.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 28.9 tp10 -93.84 24.37 4.23 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.326 -0.858 . . . . 0.0 109.515 178.594 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.585 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 17.1 m-85 -133.27 9.02 4.03 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.243 -0.911 . . . . 0.0 109.759 178.602 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.55 -92.76 1.99 Allowed Glycine 0 C--O 1.217 -0.949 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -178.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 53.7 t30 -67.39 147.95 52.24 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.86 -0.788 . . . . 0.0 109.356 -179.306 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 87.8 mm-40 70.86 12.22 7.12 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.935 -0.478 . . . . 0.0 109.834 -178.034 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.56 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 67.3 m-85 -146.69 35.56 0.95 Allowed 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.485 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -95.84 31.05 2.18 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.18 -0.95 . . . . 0.0 110.617 -178.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HG3' ' HG2' ' A' ' 51' ' ' GLU . 54.7 pttt -177.09 -133.46 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.173 -0.954 . . . . 0.0 109.104 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -89.71 54.28 2.82 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.049 -1.032 . . . . 0.0 109.24 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.505 ' HG2' ' HG3' ' A' ' 49' ' ' LYS . 6.9 mm-40 -114.15 -37.28 4.46 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.378 -0.826 . . . . 0.0 109.699 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 11.5 t -89.28 17.32 6.18 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.667 -0.645 . . . . 0.0 110.053 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.609 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 71.3 mt -60.67 -44.63 95.86 Favored Pre-proline 0 C--O 1.214 -0.803 0 O-C-N 121.159 -0.963 . . . . 0.0 110.87 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.66 -29.19 60.43 Favored 'Trans proline' 0 C--N 1.356 0.969 0 O-C-N 123.096 1.051 . . . . 0.0 109.956 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.603 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.3 t -75.52 -38.32 38.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.546 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 63.3 mt -69.25 -27.08 65.13 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 121.508 -0.745 . . . . 0.0 109.15 178.535 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -71.57 -46.02 60.59 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.322 -0.861 . . . . 0.0 109.261 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -76.72 -26.63 54.86 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.443 -0.785 . . . . 0.0 110.07 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.445 ' HG3' HG12 ' A' ' 119' ' ' VAL . 13.9 ttt -73.89 -44.52 55.04 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.186 -0.946 . . . . 0.0 108.869 179.19 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.419 HG12 ' HE2' ' A' ' 151' ' ' PHE . 6.5 mt -71.44 -23.8 23.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.067 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -71.67 -37.18 70.79 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 176.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.94 -40.12 79.17 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.656 -0.653 . . . . 0.0 109.309 178.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 67' ' ' PHE . 77.6 mt -70.25 -30.82 44.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' A' ' 88' ' ' LEU . 26.1 t80 -62.65 -46.7 87.01 Favored 'General case' 0 C--O 1.21 -0.98 0 O-C-N 121.445 -0.784 . . . . 0.0 109.791 -179.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -79.63 -32.92 41.77 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.54 -0.725 . . . . 0.0 110.008 -179.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.41 -31.69 72.42 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.49 -0.756 . . . . 0.0 109.52 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 63' ' ' ILE . 18.5 m-85 -99.18 -25.27 14.58 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.549 -0.719 . . . . 0.0 110.055 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.459 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 10.0 t -73.82 -16.55 61.14 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.985 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.7 p -56.9 149.08 19.35 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.265 -0.897 . . . . 0.0 109.953 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.98 -24.75 68.05 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 179.3 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 7.6 m-20 -72.31 -42.98 64.84 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.492 -0.755 . . . . 0.0 109.444 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -72.08 -34.64 68.84 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.425 -0.797 . . . . 0.0 109.344 179.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 26.7 t -64.91 -31.36 72.56 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.702 -0.624 . . . . 0.0 109.59 179.239 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.44 -30.26 27.42 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.281 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.19 77.41 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.648 -0.658 . . . . 0.0 109.964 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.479 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 69.7 m95 -106.2 173.99 6.08 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -178.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.15 131.24 43.27 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -62.83 -27.89 69.64 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.491 -0.756 . . . . 0.0 110.625 -178.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -77.95 -44.08 27.87 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.093 -1.005 . . . . 0.0 108.949 179.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.56 -37.38 87.11 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -72.23 -32.69 66.94 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.657 -0.652 . . . . 0.0 109.244 177.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -56.14 -51.67 67.13 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' HG2' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -64.26 -34.87 79.11 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.178 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 17' ' ' LEU . 22.2 t80 -64.06 -30.79 71.84 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 121.756 -0.59 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.4 m-85 -73.81 -36.62 65.0 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.233 -0.917 . . . . 0.0 108.822 178.291 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.5 m -67.77 -38.43 83.38 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.76 -0.588 . . . . 0.0 109.637 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -71.12 -37.21 72.34 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.239 -0.913 . . . . 0.0 109.639 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 64' ' ' PHE . 75.0 mt -67.39 -38.9 85.41 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.522 -0.736 . . . . 0.0 109.737 179.286 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -77.08 -34.48 56.93 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.532 -0.73 . . . . 0.0 110.631 -177.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -71.05 -39.92 71.99 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.039 -1.038 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -68.19 -31.95 71.84 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.18 -48.49 70.52 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.63 -0.668 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -59.13 -39.28 81.85 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.677 -0.64 . . . . 0.0 110.002 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.9 -43.94 82.1 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.38 -0.825 . . . . 0.0 108.94 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.18 -32.2 72.81 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 121.035 0.445 . . . . 0.0 110.068 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.535 ' O ' HG12 ' A' ' 100' ' ' ILE . 35.1 tt0 -78.01 -35.95 49.32 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 121.465 -0.772 . . . . 0.0 109.557 179.83 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.61 -41.63 66.84 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.649 -0.657 . . . . 0.0 109.627 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.612 ' HA ' HG22 ' A' ' 103' ' ' VAL . 87.7 m -59.82 -44.58 93.97 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.525 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.25 -30.05 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.158 -179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 96' ' ' GLU . 37.8 mm -69.42 -52.13 35.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 O-C-N 121.173 -0.954 . . . . 0.0 110.507 -178.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -83.69 34.7 0.49 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.223 -0.923 . . . . 0.0 111.458 -176.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 42.93 51.75 5.84 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' ' 98' ' ' CYS . 75.9 t -78.7 166.91 2.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 121.388 -1.066 . . . . 0.0 108.734 179.122 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -40.26 104.51 0.04 OUTLIER Glycine 0 CA--C 1.537 1.423 0 O-C-N 121.674 -0.641 . . . . 0.0 111.676 -177.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.1 m -152.66 -179.56 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.435 ' O ' ' HD2' ' A' ' 112' ' ' LYS . 37.7 p -126.51 149.78 49.16 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.2 -0.937 . . . . 0.0 109.475 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -100.58 -38.77 8.22 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.6 p -78.97 147.49 70.22 Favored Pre-proline 0 C--O 1.217 -0.616 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -73.19 89.79 0.9 Allowed 'Trans proline' 0 C--O 1.217 -0.573 0 O-C-N 123.58 1.305 . . . . 0.0 111.553 -178.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.8 tp -122.77 -64.48 1.18 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 ptm -111.57 -23.43 10.7 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 13.9 ptmm? -68.74 -38.5 80.21 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.374 -0.829 . . . . 0.0 110.625 -179.222 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 52.6 tt0 -97.72 -39.35 9.1 Favored 'General case' 0 C--O 1.208 -1.115 0 O-C-N 121.186 -0.946 . . . . 0.0 110.323 -178.079 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -60.08 -36.22 76.89 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.196 -0.94 . . . . 0.0 110.458 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.598 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 6.4 t -74.14 -44.9 51.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.174 -0.954 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.603 HG12 ' HA ' ' A' ' 55' ' ' VAL . 75.6 mt -68.76 -32.51 55.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 O-C-N 121.26 -0.9 . . . . 0.0 109.13 178.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 2.8 tt -64.83 -39.44 93.58 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.17 75.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.445 HG12 ' HG3' ' A' ' 59' ' ' MET . 95.9 t -64.4 -24.81 36.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 121.706 -0.621 . . . . 0.0 109.381 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -72.23 -41.48 66.77 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.214 -0.929 . . . . 0.0 109.785 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -70.13 -32.57 70.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.366 -0.834 . . . . 0.0 108.881 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 64.6 t80 -65.64 -51.24 61.13 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.46 -21.76 61.92 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 121.864 -0.523 . . . . 0.0 110.288 179.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -67.3 -41.36 85.51 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -68.42 -37.36 80.22 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 122' ' ' TYR . 61.6 mt -65.4 -37.77 80.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 121.606 -0.684 . . . . 0.0 109.475 178.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.0 m -69.7 -41.65 75.1 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.471 -0.768 . . . . 0.0 109.34 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -67.96 -31.11 70.6 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.145 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -65.99 -37.9 87.12 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.41 -0.806 . . . . 0.0 109.157 178.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.9 mt -68.54 -41.41 79.87 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.688 -0.633 . . . . 0.0 109.439 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -69.54 -29.07 66.58 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.666 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -71.47 -49.69 38.89 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.39 -0.818 . . . . 0.0 109.967 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 133' ' ' LYS . 14.3 mptt -82.71 3.4 29.27 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.554 -0.716 . . . . 0.0 109.805 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp 55.22 49.1 17.95 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 121.441 -0.787 . . . . 0.0 109.67 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.0 m-85 55.82 54.49 8.1 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 121.452 0.644 . . . . 0.0 110.167 179.325 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.432 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.9 t -79.58 149.86 72.18 Favored Pre-proline 0 C--O 1.215 -0.735 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.432 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.5 Cg_endo -63.04 -37.23 54.33 Favored 'Trans proline' 0 C--N 1.351 0.69 0 O-C-N 123.643 1.338 . . . . 0.0 110.744 179.349 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.66 -39.58 73.49 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.24 99.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.597 -0.69 . . . . 0.0 109.169 178.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -65.57 -34.07 77.4 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.59 -0.693 . . . . 0.0 109.754 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.606 ' CG ' HG13 ' A' ' 24' ' ' ILE . 2.9 tm-20 -63.68 -47.6 80.56 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.302 -0.874 . . . . 0.0 108.727 179.105 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 33' ' ' ARG . 75.5 t -60.0 -42.63 90.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 126' ' ' ILE . 64.0 t -69.05 -23.27 26.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.698 -0.626 . . . . 0.0 109.587 178.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.427 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 29.7 ttp85 -70.12 -47.89 59.85 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.193 -0.942 . . . . 0.0 108.779 179.225 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.28 71.14 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.204 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.8 -35.42 69.96 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.623 -0.673 . . . . 0.0 109.986 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 mm -77.75 -33.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 O-C-N 121.416 -0.802 . . . . 0.0 109.459 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.69 -40.17 69.72 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.416 -0.803 . . . . 0.0 108.903 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -69.36 -44.34 71.77 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.676 -0.64 . . . . 0.0 109.403 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.506 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.7 p -63.02 -41.92 99.67 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.869 -0.519 . . . . 0.0 109.957 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.588 ' CE1' HG22 ' A' ' 155' ' ' THR . 41.1 t80 -69.41 -37.78 77.61 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.431 -0.793 . . . . 0.0 109.603 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.8 m -68.91 -34.2 75.0 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.335 -0.853 . . . . 0.0 109.313 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 36.5 mt -66.24 -47.6 73.22 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.546 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 71.8 m -64.71 -36.64 84.93 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.972 -0.455 . . . . 0.0 110.362 -179.072 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.588 HG22 ' CE1' ' A' ' 151' ' ' PHE . 65.5 p -90.15 -4.65 57.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.607 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -71.37 -12.09 61.24 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.062 -1.024 . . . . 0.0 109.89 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 157' ' ' LEU . 4.2 mm? -65.58 -29.77 70.41 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.206 -0.934 . . . . 0.0 109.607 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -61.08 -40.3 93.16 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.414 -0.803 . . . . 0.0 109.257 179.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 161' ' ' LEU . 8.9 pt-20 -160.31 117.79 2.52 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 27.1 t -92.59 73.15 5.09 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.441 0.638 . . . . 0.0 109.488 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' A' ' 159' ' ' GLU . 10.5 mp -88.85 143.55 26.81 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.448 -0.783 . . . . 0.0 109.659 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -118.65 53.89 0.97 Allowed 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.5 p -109.68 74.42 0.89 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.39 -0.819 . . . . 0.0 109.017 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -111.89 51.85 0.78 Allowed 'General case' 0 C--O 1.219 -0.521 0 O-C-N 121.431 -0.793 . . . . 0.0 109.325 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.532 179.96 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.451 ' SG ' HG12 ' A' ' 103' ' ' VAL . 2.9 t . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.586 0.707 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -95.98 63.22 2.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.551 0.691 . . . . 0.0 109.413 -179.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.5 mm? -77.31 -55.31 1.36 Allowed Pre-proline 0 C--O 1.216 -0.662 0 O-C-N 121.484 -0.76 . . . . 0.0 109.193 179.206 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 51.9 Cg_endo -77.79 156.08 31.09 Favored 'Trans proline' 0 C--N 1.354 0.858 0 O-C-N 123.536 1.282 . . . . 0.0 110.004 178.461 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -93.91 61.66 3.04 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.385 -0.822 . . . . 0.0 109.082 179.246 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.2 p -137.27 24.42 2.97 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.58 -0.7 . . . . 0.0 109.906 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -99.64 -175.57 3.02 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.076 -1.015 . . . . 0.0 109.428 179.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.5 p -151.6 -174.72 4.93 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.492 -0.755 . . . . 0.0 109.422 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.1 87.28 7.41 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.233 -0.917 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.37 -28.4 73.69 Favored Glycine 0 CA--C 1.536 1.35 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.516 ' HB3' HG22 ' A' ' 155' ' ' THR . 69.9 m -63.6 -33.19 75.06 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.623 -0.927 . . . . 0.0 109.698 178.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.1 -38.21 87.67 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.419 -0.8 . . . . 0.0 109.557 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 66.4 ttt180 -70.18 -39.39 75.29 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.395 -0.816 . . . . 0.0 109.38 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -59.08 -42.58 90.74 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.561 -0.712 . . . . 0.0 109.15 178.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD21 ' HG3' ' A' ' 148' ' ' MET . 81.4 mt -69.04 -34.09 74.66 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.735 -0.603 . . . . 0.0 109.528 178.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.9 ttp -61.61 -36.19 80.01 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 84' ' ' PHE . 79.4 mt -64.6 -44.09 91.72 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.449 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.608 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 57.0 mt -58.74 -28.89 66.29 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.957 -0.464 . . . . 0.0 110.018 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.34 -42.73 35.54 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.443 -0.785 . . . . 0.0 109.636 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.14 -29.37 69.65 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.517 -0.739 . . . . 0.0 110.243 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.649 ' HE3' ' HD2' ' A' ' 144' ' ' ARG . 5.2 ptm -90.53 31.31 1.04 Allowed 'General case' 0 C--O 1.208 -1.086 0 O-C-N 121.36 -0.838 . . . . 0.0 110.48 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -100.99 112.34 24.77 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 176.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 4.6 mptp? -87.96 -31.88 19.16 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.486 -0.759 . . . . 0.0 109.986 -178.168 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.581 HG13 ' HG3' ' A' ' 141' ' ' GLU . 1.9 pt -129.03 169.81 19.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.503 -0.748 . . . . 0.0 110.488 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -97.76 155.43 17.03 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 109.738 -179.371 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HA ' ' OE1' ' A' ' 141' ' ' GLU . 43.4 tp -66.81 -30.31 70.47 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -70.41 -35.5 73.48 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 m -69.33 -29.92 67.86 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 19.6 m -106.58 50.39 0.77 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.446 -0.784 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.0 mt -80.07 -2.86 46.17 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.106 -0.996 . . . . 0.0 110.107 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -80.06 -27.26 39.4 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.72 26.88 9.99 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.631 -0.668 . . . . 0.0 109.897 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -76.0 120.61 21.56 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.069 -1.02 . . . . 0.0 108.8 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -146.55 134.46 21.35 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.531 -0.73 . . . . 0.0 109.464 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -85.8 124.32 32.17 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.562 -0.711 . . . . 0.0 109.153 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 63.7 m-85 -82.3 -50.89 8.45 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.532 -0.73 . . . . 0.0 109.673 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.43 71.73 0.76 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 150' ' ' SER . 84.7 t80 -74.07 135.6 76.71 Favored Pre-proline 0 C--O 1.217 -0.609 0 O-C-N 121.517 -0.99 . . . . 0.0 109.489 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.52 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.6 Cg_endo -86.24 78.41 2.15 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 O-C-N 123.877 1.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.484 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.2 tm0? -83.1 -12.92 56.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.188 -0.945 . . . . 0.0 109.573 178.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.15 -25.28 67.66 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.009 -1.057 . . . . 0.0 108.971 177.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.8 tp10 -90.72 17.11 8.04 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 177.658 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 29.7 m-85 -131.26 43.25 3.11 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.33 -0.856 . . . . 0.0 108.805 179.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.19 -95.09 0.56 Allowed Glycine 0 C--O 1.217 -0.921 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -178.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 6.8 m120 -78.66 147.43 33.56 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.721 -0.87 . . . . 0.0 108.886 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 93.4 mm-40 66.34 13.32 9.15 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.709 -0.619 . . . . 0.0 109.455 -177.022 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 115' ' ' SER . 86.3 m-85 -145.39 60.48 1.29 Allowed 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -155.7 165.07 37.64 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.443 -0.786 . . . . 0.0 109.167 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 tttt 66.47 53.65 0.95 Allowed 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -179.14 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . 63.58 26.9 14.85 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.661 -0.65 . . . . 0.0 111.186 179.127 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -98.58 -28.88 13.37 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 120.92 -1.113 . . . . 0.0 110.218 179.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.622 HG21 ' HB ' ' A' ' 55' ' ' VAL . 2.0 m -86.92 3.45 45.6 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.64 -0.662 . . . . 0.0 110.081 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.614 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 57.0 mt -55.13 -42.15 94.4 Favored Pre-proline 0 C--O 1.212 -0.889 0 O-C-N 121.19 -0.944 . . . . 0.0 111.439 -179.012 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.5 Cg_endo -65.87 -33.11 44.11 Favored 'Trans proline' 0 C--N 1.356 0.952 0 O-C-N 123.035 1.018 . . . . 0.0 110.942 179.11 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.752 ' HA ' HG12 ' A' ' 116' ' ' ILE . 8.6 t -76.35 -37.3 31.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.621 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 69.2 mt -68.1 -31.46 71.09 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.6 -0.687 . . . . 0.0 109.206 179.238 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 60.0 t-80 -68.6 -50.49 51.13 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.667 ' HG2' HG22 ' A' ' 116' ' ' ILE . 30.0 tp10 -64.98 -37.2 86.88 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.522 -0.736 . . . . 0.0 109.588 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.5 ttt -61.05 -48.07 83.46 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.331 -0.856 . . . . 0.0 108.715 178.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.604 ' CG2' ' HG ' ' A' ' 92' ' ' LEU . 2.0 mm -57.4 -29.54 33.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.779 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -51.87 43.05 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 178.819 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -60.53 -34.88 74.77 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 121.337 -0.852 . . . . 0.0 110.413 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.1 mt -73.26 -33.53 41.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 O-C-N 121.214 -0.929 . . . . 0.0 108.543 178.38 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' HA ' HD11 ' A' ' 88' ' ' LEU . 33.7 t80 -61.74 -46.98 87.29 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.419 -0.801 . . . . 0.0 109.653 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.64 -38.32 58.96 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.638 -0.664 . . . . 0.0 109.539 -179.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.4 tp -59.55 -31.98 69.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.455 -0.778 . . . . 0.0 109.213 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.484 ' CE2' ' NH1' ' A' ' 144' ' ' ARG . 6.0 m-85 -96.76 -18.31 19.7 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.684 -0.635 . . . . 0.0 109.906 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.3 t -86.85 -15.23 39.76 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.066 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 p -54.47 148.21 12.52 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.301 -0.874 . . . . 0.0 109.814 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -63.52 -26.09 68.55 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.515 -0.741 . . . . 0.0 109.597 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -72.56 -39.97 67.02 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.474 -0.766 . . . . 0.0 109.222 178.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.539 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 97.5 p -76.72 -31.15 56.98 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.542 -0.723 . . . . 0.0 109.814 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.491 ' HA ' HD11 ' A' ' 81' ' ' LEU . 32.5 t -68.27 -32.15 72.11 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.529 -0.732 . . . . 0.0 109.674 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.56 -21.09 28.69 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.551 -0.718 . . . . 0.0 109.46 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.08 -26.59 48.25 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.377 -0.827 . . . . 0.0 110.17 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' A' ' 21' ' ' MET . 66.4 m95 -124.69 163.49 21.93 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.348 -0.845 . . . . 0.0 109.88 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.27 129.37 40.91 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.277 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 16.0 pt-20 -62.39 -24.99 67.69 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.61 -0.681 . . . . 0.0 110.248 -179.164 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.5 m -78.72 -44.73 22.82 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.175 -0.953 . . . . 0.0 108.85 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.36 -39.92 95.85 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -70.04 -33.3 71.8 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.499 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 11.4 t70 -55.31 -52.36 63.73 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 60.2 mmtt -64.04 -32.3 73.8 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.624 ' HA ' HD11 ' A' ' 17' ' ' LEU . 27.3 t80 -64.72 -33.66 76.49 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.614 -0.678 . . . . 0.0 109.457 178.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -72.73 -37.08 67.86 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.205 -0.935 . . . . 0.0 109.194 178.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.6 m -66.87 -40.79 87.95 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.544 ' HG3' HD12 ' A' ' 17' ' ' LEU . 77.6 mm-40 -70.69 -30.0 66.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.298 -0.876 . . . . 0.0 109.456 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 64' ' ' PHE . 70.7 mt -71.66 -42.1 67.92 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.526 -0.733 . . . . 0.0 109.926 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 16.6 t80 -77.11 -31.61 55.94 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.393 -0.817 . . . . 0.0 109.919 -178.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -69.35 -45.43 69.4 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.191 -0.943 . . . . 0.0 108.531 178.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.01 -28.91 68.63 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.008 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.604 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 10.8 mt -70.17 -34.05 72.52 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.555 -0.716 . . . . 0.0 109.385 178.061 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -71.06 -41.92 70.11 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.575 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.22 -43.29 74.37 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.363 -0.836 . . . . 0.0 109.287 179.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 57' ' ' HIS . 71.2 mt -61.53 -37.2 82.88 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.864 -0.522 . . . . 0.0 109.89 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.516 ' O ' HG12 ' A' ' 100' ' ' ILE . 5.6 tp10 -75.3 -36.77 61.09 Favored 'General case' 0 C--O 1.212 -0.881 0 O-C-N 121.389 -0.819 . . . . 0.0 109.665 179.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.9 73.38 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.655 -0.653 . . . . 0.0 109.588 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.536 ' CB ' HD11 ' A' ' 53' ' ' ILE . 74.5 m -59.38 -43.29 92.93 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.573 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.47 -33.77 65.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 96' ' ' GLU . 43.5 mm -64.92 -54.1 33.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 121.284 -0.885 . . . . 0.0 109.77 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -71.6 -179.75 2.71 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.58 -0.7 . . . . 0.0 110.067 -178.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.48 45.47 3.26 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 1' ' ' CYS . 20.9 t -79.42 168.91 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.513 -0.992 . . . . 0.0 108.333 178.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.31 84.28 0.06 OUTLIER Glycine 0 CA--C 1.533 1.163 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -178.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.2 t -128.64 24.98 2.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 O-C-N 121.599 -0.942 . . . . 0.0 108.983 179.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -169.12 172.95 7.09 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.388 -0.82 . . . . 0.0 109.318 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -169.26 -65.09 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.69 -0.631 . . . . 0.0 109.614 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.469 ' N ' ' HD2' ' A' ' 109' ' ' PRO . 0.0 OUTLIER 179.91 -54.78 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.71 0 O-C-N 121.751 -0.593 . . . . 0.0 110.361 -179.254 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 108' ' ' THR . 41.8 Cg_endo -68.53 170.14 15.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 123.352 1.185 . . . . 0.0 112.041 -178.25 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 113' ' ' GLU . 0.2 OUTLIER -84.11 -4.97 59.15 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.916 -0.49 . . . . 0.0 110.329 179.726 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.456 ' HA ' ' HB3' ' A' ' 114' ' ' ASP . 65.9 mmm -42.58 -31.36 0.44 Allowed 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.501 -0.75 . . . . 0.0 110.5 -179.037 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.466 ' HD3' ' C ' ' A' ' 112' ' ' LYS . 2.0 tmtp? -51.21 -51.42 54.01 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.697 -0.627 . . . . 0.0 109.564 178.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.485 ' HB3' HD11 ' A' ' 110' ' ' LEU . 17.8 tp10 -83.68 -27.06 29.3 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 121.462 -0.774 . . . . 0.0 110.042 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.456 ' HB3' ' HA ' ' A' ' 111' ' ' MET . 36.5 t70 -59.4 -40.04 85.36 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.319 -0.863 . . . . 0.0 110.25 -179.577 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.568 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 21.2 t -64.54 -42.57 95.64 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 108.962 179.145 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.752 HG12 ' HA ' ' A' ' 55' ' ' VAL . 72.5 mt -68.67 -28.52 40.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.224 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 120' ' ' ARG . 13.2 mt -69.62 -31.98 70.41 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.563 -0.71 . . . . 0.0 109.376 179.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.75 -44.33 64.25 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.063 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.58 -35.22 74.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.608 -0.683 . . . . 0.0 109.998 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 12.7 ptm180 -67.52 -33.91 76.03 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.86 -1.15 . . . . 0.0 109.281 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.35 -36.84 82.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 38' ' ' PHE . 71.4 t80 -62.28 -51.41 67.81 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.21 -26.04 67.19 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.95 -0.469 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.32 -40.05 93.22 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.49 -31.45 68.56 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 122' ' ' TYR . 41.9 mt -68.53 -38.25 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.581 -0.7 . . . . 0.0 109.465 179.096 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.8 m -68.85 -36.38 78.08 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.446 -0.784 . . . . 0.0 109.185 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.17 -38.62 72.16 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.505 -0.747 . . . . 0.0 109.43 179.092 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.1 -39.07 93.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.681 -0.637 . . . . 0.0 109.354 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.03 -39.57 79.16 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -72.68 -20.97 61.14 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.696 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.96 -50.51 19.66 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.265 -0.897 . . . . 0.0 108.767 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 136' ' ' SER . 5.7 mptp? -81.32 2.73 26.95 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.803 -0.561 . . . . 0.0 109.569 178.155 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 58.49 40.52 23.85 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.326 -0.859 . . . . 0.0 109.722 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 62.83 51.94 2.85 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.602 -0.687 . . . . 0.0 110.009 178.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.493 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.4 m -79.28 162.71 62.91 Favored Pre-proline 0 C--O 1.217 -0.614 0 O-C-N 121.456 -0.777 . . . . 0.0 109.206 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.07 -40.72 4.53 Favored 'Trans proline' 0 C--N 1.349 0.564 0 O-C-N 123.67 1.353 . . . . 0.0 111.318 -179.549 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.8 -43.22 80.19 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.445 -0.784 . . . . 0.0 109.258 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.82 88.74 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.502 -0.749 . . . . 0.0 109.473 179.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.539 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 8.2 m95 -66.78 -40.5 88.22 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.481 -0.762 . . . . 0.0 109.961 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.581 ' HG3' HG13 ' A' ' 24' ' ' ILE . 6.6 tm-20 -65.42 -40.62 93.57 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.377 -0.827 . . . . 0.0 109.339 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 146' ' ' GLU . 45.1 t -59.4 -41.27 83.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.475 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.613 ' HA ' ' HG2' ' A' ' 146' ' ' GLU . 68.0 t -72.11 -23.65 21.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 O-C-N 121.974 -0.453 . . . . 0.0 109.938 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.649 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 2.4 tpp180 -70.16 -44.71 68.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 120.528 -1.357 . . . . 0.0 108.222 178.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -76.0 -18.2 59.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.613 ' HG2' ' HA ' ' A' ' 143' ' ' VAL . 0.3 OUTLIER -77.64 -34.48 53.16 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.828 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 18' ' ' LEU . 18.6 mm -77.96 -31.07 16.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.534 ' HG3' HD21 ' A' ' 15' ' ' LEU . 28.9 ttm -66.42 -47.0 74.64 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.474 -0.766 . . . . 0.0 109.354 179.158 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -49.05 65.02 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.894 -0.504 . . . . 0.0 110.033 -178.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.532 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 67.3 m -62.4 -39.42 93.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.561 -0.712 . . . . 0.0 110.136 -179.196 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.433 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 43.0 t80 -70.12 -36.18 74.64 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.544 -0.723 . . . . 0.0 109.419 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 66.6 m -69.46 -33.98 73.71 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.431 -0.793 . . . . 0.0 108.96 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.484 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 76.2 mt -66.32 -41.55 89.52 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.621 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 49.2 m -71.24 -35.3 71.39 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.645 -0.659 . . . . 0.0 109.964 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 11' ' ' SER . 35.8 p -93.09 1.67 57.1 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.475 -0.766 . . . . 0.0 110.172 -178.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 152' ' ' SER . 5.3 t-20 -75.93 -1.3 24.87 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.069 -1.019 . . . . 0.0 110.589 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.73 -19.54 50.66 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 120.789 -1.194 . . . . 0.0 109.89 179.265 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -57.77 -26.02 61.3 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.415 -0.803 . . . . 0.0 109.959 178.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -139.32 112.5 8.12 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 29.7 t -118.92 84.18 2.15 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.28 157.94 35.98 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.558 -0.714 . . . . 0.0 109.586 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -107.03 -65.41 1.1 Allowed 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.42 -0.8 . . . . 0.0 109.388 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.5 t -146.52 78.09 1.5 Allowed 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -120.15 -120.61 0.3 Allowed 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.468 -179.906 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 98' ' ' CYS . 4.3 t . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.64 0.733 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -115.56 78.7 1.2 Allowed 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 2.9 mt -64.74 -50.19 65.44 Favored Pre-proline 0 C--O 1.216 -0.706 0 O-C-N 121.623 -0.673 . . . . 0.0 109.336 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 37.5 Cg_endo -66.39 132.02 28.14 Favored 'Trans proline' 0 C--N 1.354 0.849 0 O-C-N 123.764 1.402 . . . . 0.0 110.527 178.811 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -107.2 89.01 2.87 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.6 p -122.82 -62.72 1.33 Allowed 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.538 -0.727 . . . . 0.0 110.271 -177.48 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -92.8 164.81 13.21 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.171 -0.955 . . . . 0.0 109.645 -179.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -160.6 109.41 1.66 Allowed 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.689 -0.632 . . . . 0.0 109.498 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -138.77 20.69 2.68 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.415 -0.803 . . . . 0.0 109.905 178.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.72 -44.76 1.49 Allowed Glycine 0 C--O 1.212 -1.236 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -92.13 -36.71 13.17 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.517 -0.99 . . . . 0.0 109.817 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -68.17 -43.79 77.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.42 -0.8 . . . . 0.0 109.974 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 21.9 mmt85 -70.7 -33.92 71.41 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.272 -0.893 . . . . 0.0 110.005 -179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.424 HG22 ' CE1' ' A' ' 84' ' ' PHE . 15.6 m -62.52 -42.85 99.79 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.397 -0.814 . . . . 0.0 109.475 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.586 HD21 ' HG3' ' A' ' 148' ' ' MET . 90.0 mt -68.45 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.435 -0.79 . . . . 0.0 109.596 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.73 -39.16 93.22 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.347 -0.846 . . . . 0.0 109.1 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' CD1' ' HA ' ' A' ' 84' ' ' PHE . 86.1 mt -62.78 -41.89 99.45 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' HG ' ' CE1' ' A' ' 84' ' ' PHE . 50.9 mt -58.47 -35.77 72.68 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.75 -0.594 . . . . 0.0 109.68 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.64 80.82 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.536 -0.728 . . . . 0.0 109.736 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -67.67 -33.97 76.0 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.353 -0.842 . . . . 0.0 109.697 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.462 ' HE2' ' CD2' ' A' ' 67' ' ' PHE . 9.3 mtp -67.39 -19.55 65.42 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 121.428 -0.795 . . . . 0.0 110.528 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 6.6 tmm_? -46.41 118.42 1.96 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.151 -0.968 . . . . 0.0 110.463 -179.459 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -38.8 9.54 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.268 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.53 HG13 ' HG2' ' A' ' 141' ' ' GLU . 1.6 pt -133.08 170.2 20.48 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 CA-C-O 121.369 0.604 . . . . 0.0 109.679 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -87.67 147.07 25.42 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 -179.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.18 -33.55 76.06 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -65.57 -38.46 89.62 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.526 -0.734 . . . . 0.0 109.249 178.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.8 m -67.83 -24.81 65.32 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.309 -0.869 . . . . 0.0 109.134 178.278 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.417 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 55.4 m -108.67 47.93 0.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 O-C-N 121.547 -0.721 . . . . 0.0 109.901 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.44 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 83.2 mt -85.36 0.01 53.43 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.265 -0.897 . . . . 0.0 110.241 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.68 -30.34 29.32 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.367 -0.833 . . . . 0.0 109.172 178.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -112.73 26.91 10.08 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.651 -0.656 . . . . 0.0 109.436 178.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.606 ' HA ' HG23 ' A' ' 142' ' ' VAL . 52.0 ttp180 -86.33 117.64 25.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.123 -0.986 . . . . 0.0 109.584 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -145.19 127.99 16.31 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.73 138.53 56.32 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.662 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.6 m-85 -87.99 -43.3 11.85 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.666 -0.646 . . . . 0.0 109.846 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 64.63 0.49 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.552 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 83.6 t80 -73.45 133.67 80.25 Favored Pre-proline 0 C--O 1.217 -0.642 0 O-C-N 121.582 -0.952 . . . . 0.0 109.053 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 54.8 Cg_endo -82.51 69.61 7.28 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 O-C-N 123.766 1.403 . . . . 0.0 111.045 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HG3' ' CD2' ' A' ' 153' ' ' LEU . 3.6 tm0? -74.3 -22.94 59.05 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.205 -0.935 . . . . 0.0 109.48 178.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -54.65 -26.29 32.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.363 -0.836 . . . . 0.0 109.372 178.143 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' HG2' ' CZ ' ' A' ' 47' ' ' PHE . 31.8 tt0 -98.17 34.23 2.0 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.21 178.733 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.488 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 20.2 m-85 -142.14 37.17 1.56 Allowed 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.228 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.16 -94.56 0.47 Allowed Glycine 0 CA--C 1.528 0.9 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -71.72 143.59 49.58 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.741 -0.858 . . . . 0.0 109.339 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 3.7 tp-100 67.54 19.44 9.92 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.754 -0.591 . . . . 0.0 109.426 -178.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 71.2 m-85 -142.11 56.44 1.47 Allowed 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.162 -0.961 . . . . 0.0 108.924 179.098 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -176.36 0.27 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.347 -0.846 . . . . 0.0 109.851 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -71.12 -3.28 19.11 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.253 -0.904 . . . . 0.0 110.258 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . . . -123.79 15.86 9.41 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.298 -0.876 . . . . 0.0 109.777 178.696 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -121.96 -43.78 2.33 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.093 -1.005 . . . . 0.0 109.908 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.54 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 14.6 t -91.48 13.99 16.1 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.679 -0.638 . . . . 0.0 110.22 -179.425 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 49.4 mt -57.93 -42.86 97.47 Favored Pre-proline 0 C--O 1.213 -0.851 0 O-C-N 121.054 -1.029 . . . . 0.0 110.589 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.79 -26.42 52.61 Favored 'Trans proline' 0 C--N 1.356 0.967 0 O-C-N 123.214 1.113 . . . . 0.0 110.573 178.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.727 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.49 -44.6 47.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.567 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.2 mt -62.82 -38.94 92.72 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CD2' ' HG3' ' A' ' 96' ' ' GLU . 57.0 t-80 -59.4 -50.66 73.1 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.762 -0.586 . . . . 0.0 109.94 -179.112 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.645 ' HG2' HG22 ' A' ' 116' ' ' ILE . 1.1 mp0 -66.22 -28.73 68.96 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.308 -0.87 . . . . 0.0 109.626 179.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.7 ttm -67.34 -39.13 85.76 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 121.338 -0.851 . . . . 0.0 108.706 177.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.576 ' CG2' ' HG ' ' A' ' 92' ' ' LEU . 25.1 mm -68.23 -29.65 45.13 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.326 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -73.68 -38.26 64.97 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -70.28 -36.83 74.63 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG22 ' CE1' ' A' ' 67' ' ' PHE . 84.2 mt -76.16 -29.49 19.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 60' ' ' ILE . 39.3 t80 -64.82 -45.95 84.04 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.293 -0.879 . . . . 0.0 109.381 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -78.92 -34.29 44.71 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.575 -0.703 . . . . 0.0 109.851 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.7 tp -62.5 -30.61 71.4 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 178.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CD2' ' HE2' ' A' ' 21' ' ' MET . 15.8 m-85 -98.92 -17.59 18.28 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.603 -0.685 . . . . 0.0 109.859 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 15.0 t -85.64 -18.94 31.81 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.204 -0.935 . . . . 0.0 109.912 178.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.3 p -53.32 149.34 7.51 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.382 -0.824 . . . . 0.0 109.915 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.43 -26.3 68.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.575 -0.703 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.2 p30 -74.66 -27.35 60.39 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.544 -0.723 . . . . 0.0 110.018 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.516 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 85.7 p -92.09 -29.72 16.39 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.264 -0.897 . . . . 0.0 109.728 179.472 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.4 t -66.53 -30.22 70.49 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.476 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.74 -25.88 26.17 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.601 -0.687 . . . . 0.0 109.213 178.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -32.78 70.67 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.507 -0.746 . . . . 0.0 110.035 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -118.67 167.47 11.62 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.688 -0.633 . . . . 0.0 109.398 -178.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.49 134.66 53.89 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.232 -0.918 . . . . 0.0 108.906 178.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -23.47 65.82 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -179.013 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -79.88 -45.99 17.63 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.093 -1.004 . . . . 0.0 108.594 178.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.39 -38.51 89.88 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.03 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.7 mt -70.2 -34.58 73.11 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.28 -53.13 57.95 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 53.2 mmtt -65.24 -31.09 72.07 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.323 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 32.1 t80 -65.23 -31.62 72.87 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.599 -0.688 . . . . 0.0 109.239 178.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.5 -36.8 65.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.19 -0.944 . . . . 0.0 109.008 178.179 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -68.52 -38.38 80.86 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.651 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -34.31 72.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.456 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' CD2' HG21 ' A' ' 60' ' ' ILE . 46.4 mt -71.1 -41.47 70.54 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.67 -0.644 . . . . 0.0 109.513 179.222 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.94 -30.73 64.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.589 -0.694 . . . . 0.0 110.494 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.64 -52.35 15.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.137 -0.977 . . . . 0.0 109.616 -179.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.444 ' NE2' HD11 ' A' ' 60' ' ' ILE . 25.2 pt20 -66.27 -21.98 66.3 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.802 179.011 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.576 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 7.2 mt -67.12 -46.8 73.04 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 176.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.08 -43.47 91.8 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.22 -40.13 95.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.41 -0.806 . . . . 0.0 109.672 178.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.0 mt -66.72 -28.42 68.41 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.571 -0.706 . . . . 0.0 109.753 179.256 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.564 ' O ' HG12 ' A' ' 100' ' ' ILE . 42.9 mt-10 -75.82 -34.27 60.11 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 121.472 -0.768 . . . . 0.0 109.83 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.11 -49.07 12.02 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.854 -0.529 . . . . 0.0 110.929 -178.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.575 ' SG ' ' CD1' ' A' ' 53' ' ' ILE . 5.4 m -63.65 -42.34 98.11 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.358 -0.839 . . . . 0.0 109.177 179.018 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.2 t -65.44 -30.6 50.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 O-C-N 121.626 -0.671 . . . . 0.0 110.04 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 96' ' ' GLU . 18.8 mm -65.08 -57.84 9.47 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 121.171 -0.956 . . . . 0.0 108.924 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.432 ' HB2' HG21 ' A' ' 103' ' ' VAL . 77.7 mm-40 -80.64 -174.11 4.52 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.588 -0.695 . . . . 0.0 109.335 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.51 -32.26 55.1 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 179.119 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' A' ' 101' ' ' GLN . 15.9 m -58.5 106.02 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 O-C-N 121.599 -0.942 . . . . 0.0 110.032 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.99 -55.26 0.54 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.88 145.92 10.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 121.668 -0.901 . . . . 0.0 109.558 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.5 p -142.06 -163.44 1.59 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.526 -0.734 . . . . 0.0 109.286 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 108' ' ' THR . 39.9 tt0 -56.08 -21.72 23.67 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 107' ' ' GLU . 28.7 m -20.75 117.38 0.12 Allowed Pre-proline 0 N--CA 1.476 0.837 0 CA-C-O 121.034 0.445 . . . . 0.0 112.12 -178.64 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 111' ' ' MET . 38.2 Cg_endo -65.49 178.95 1.84 Allowed 'Trans proline' 0 C--O 1.214 -0.72 0 C-N-CA 122.159 1.906 . . . . 0.0 110.026 177.794 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.1 tt -35.28 -26.83 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 O-C-N 122.094 -0.379 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 109' ' ' PRO . 2.1 tpp -43.17 -33.86 1.0 Allowed 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.537 -0.727 . . . . 0.0 109.901 176.496 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 61.9 pttt -55.85 -39.47 71.52 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.467 -0.771 . . . . 0.0 109.789 179.125 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 31.5 tt0 -87.21 -28.69 22.23 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 121.34 -0.85 . . . . 0.0 109.287 178.499 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -55.03 -36.64 65.72 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.526 -0.734 . . . . 0.0 109.681 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.422 ' HB2' HG23 ' A' ' 55' ' ' VAL . 4.7 p -64.36 -46.51 83.09 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.501 -0.749 . . . . 0.0 109.342 178.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.727 HG12 ' HA ' ' A' ' 55' ' ' VAL . 74.5 mt -69.27 -34.5 63.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 O-C-N 121.565 -0.71 . . . . 0.0 109.252 178.482 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.94 71.31 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.18 -48.54 61.9 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.297 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.04 -26.79 39.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -69.37 -45.0 70.37 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.369 -0.832 . . . . 0.0 109.533 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -70.17 -31.8 69.44 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.464 ' O ' HG13 ' A' ' 126' ' ' ILE . 71.5 t80 -63.48 -50.75 68.46 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.555 -0.716 . . . . 0.0 109.353 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -68.68 -28.54 66.95 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.652 -0.655 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.86 -40.85 98.75 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.265 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -68.13 -37.14 80.75 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.662 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 53.4 mt -62.04 -38.01 79.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.517 -0.739 . . . . 0.0 109.271 178.793 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 37.4 m -67.8 -36.97 81.37 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.481 -0.762 . . . . 0.0 109.658 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.3 -44.1 72.48 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.461 -0.774 . . . . 0.0 109.861 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -58.93 -38.43 78.96 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.556 -0.715 . . . . 0.0 109.308 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.66 -45.0 88.59 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.19 -20.34 63.12 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.413 -0.805 . . . . 0.0 109.719 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.53 -50.84 33.44 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.35 -0.844 . . . . 0.0 108.83 178.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -81.84 4.01 23.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.801 -0.562 . . . . 0.0 109.72 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 60.66 40.54 16.34 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.519 -0.738 . . . . 0.0 109.407 -179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.466 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 58.3 m-85 61.51 55.95 2.68 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.665 0.745 . . . . 0.0 109.586 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.46 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 32.1 t -79.96 151.31 73.21 Favored Pre-proline 0 C--O 1.216 -0.705 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.46 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.09 -35.98 50.49 Favored 'Trans proline' 0 C--N 1.352 0.739 0 O-C-N 123.633 1.333 . . . . 0.0 110.913 179.499 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.79 -39.22 70.05 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.417 -0.802 . . . . 0.0 108.894 177.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.36 95.75 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.656 -0.652 . . . . 0.0 109.241 178.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.9 m95 -66.46 -32.21 73.43 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.501 -0.75 . . . . 0.0 109.693 178.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.53 ' HG2' HG13 ' A' ' 24' ' ' ILE . 2.5 tp10 -69.79 -35.2 74.68 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.365 -0.834 . . . . 0.0 108.797 178.568 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.606 HG23 ' HA ' ' A' ' 33' ' ' ARG . 56.7 t -67.97 -36.43 75.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 147' ' ' ILE . 65.5 t -76.46 -25.59 16.4 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 121.708 -0.62 . . . . 0.0 109.844 178.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 145' ' ' ALA . 4.7 ptt85 -67.41 -49.62 63.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.137 -0.977 . . . . 0.0 108.369 178.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' A' ' 144' ' ' ARG . . . -65.41 -34.27 77.91 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.411 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.41 -31.18 66.95 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.574 -0.704 . . . . 0.0 109.75 179.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 143' ' ' VAL . 15.0 mm -77.95 -35.23 20.33 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 121.171 -0.956 . . . . 0.0 109.092 178.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.586 ' HG3' HD21 ' A' ' 15' ' ' LEU . 29.6 ttm -67.81 -42.17 81.97 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.441 -0.787 . . . . 0.0 109.013 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -69.39 -52.92 22.42 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.904 -0.498 . . . . 0.0 109.698 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.511 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 66.0 m -60.18 -35.82 76.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 122.005 -0.434 . . . . 0.0 110.019 -179.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.416 ' HE1' ' CD1' ' A' ' 60' ' ' ILE . 42.7 t80 -72.2 -38.51 69.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.476 -0.765 . . . . 0.0 109.148 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.525 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 72.3 m -67.12 -30.27 70.24 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.04 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 40' ' ' GLN . 74.6 mt -71.84 -41.34 68.25 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 27.1 m -68.14 -35.0 77.38 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.631 -0.668 . . . . 0.0 109.622 179.348 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 45.5 p -95.12 1.34 54.87 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.489 -0.757 . . . . 0.0 109.542 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.0 t-20 -67.02 -10.95 55.25 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 121.35 -0.844 . . . . 0.0 110.764 -179.408 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 47' ' ' PHE . 4.1 mm? -51.4 -26.14 7.4 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.018 -1.051 . . . . 0.0 110.658 -179.22 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -67.89 -35.77 79.08 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.266 -0.896 . . . . 0.0 109.99 179.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -112.69 1.15 15.58 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.376 -0.828 . . . . 0.0 111.182 -178.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 55.0 m -52.14 -49.19 64.2 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.285 -0.884 . . . . 0.0 110.155 -178.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.42 127.72 35.51 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.443 -0.786 . . . . 0.0 108.888 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -64.57 -36.42 84.16 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.488 -0.757 . . . . 0.0 109.517 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 87.7 p -65.14 161.44 19.08 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.53 -0.731 . . . . 0.0 109.593 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.15 51.84 2.13 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 121.478 -0.764 . . . . 0.0 109.435 179.569 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 CA--C 1.537 0.466 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.772 -179.925 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 97' ' ' ALA . 4.6 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.432 0.634 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -97.52 73.76 2.41 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.579 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 2.1 mt -68.33 -53.12 19.05 Favored Pre-proline 0 C--O 1.216 -0.663 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.579 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 43.2 Cg_endo -73.35 145.49 38.46 Favored 'Trans proline' 0 C--N 1.352 0.751 0 O-C-N 123.813 1.428 . . . . 0.0 110.105 178.101 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -105.44 88.0 2.74 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.727 0.775 . . . . 0.0 109.565 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -90.34 -45.02 9.29 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.437 -0.79 . . . . 0.0 109.884 -179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -86.76 -176.65 5.87 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.269 -0.894 . . . . 0.0 110.002 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.9 p -94.52 -167.67 1.7 Allowed 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.54 110.16 4.08 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.179 -0.95 . . . . 0.0 108.973 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.19 -37.3 93.76 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -66.24 -32.96 74.7 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.447 -1.031 . . . . 0.0 109.935 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -39.42 78.53 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.719 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -76.39 -39.93 52.35 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.231 -0.918 . . . . 0.0 109.733 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.418 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 92.8 m -63.4 -45.6 90.3 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.431 -0.793 . . . . 0.0 109.322 179.339 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 152' ' ' SER . 38.4 mt -67.55 -30.04 69.57 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.623 -0.673 . . . . 0.0 109.309 178.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -64.86 -37.87 89.07 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.3 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 84' ' ' PHE . 96.0 mt -62.83 -41.08 99.19 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.696 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 HD11 HD22 ' A' ' 15' ' ' LEU . 82.1 mt -62.1 -35.09 77.65 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.621 -0.674 . . . . 0.0 109.503 179.472 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.5 66.56 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.465 -0.772 . . . . 0.0 109.607 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.6 -24.95 65.55 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.451 -0.781 . . . . 0.0 109.669 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.648 ' HG2' ' CE3' ' A' ' 76' ' ' TRP . 41.3 ttm -59.56 -34.6 72.89 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -53.38 110.54 0.57 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.591 -0.693 . . . . 0.0 110.154 -179.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -94.15 -39.32 10.63 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.462 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.509 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 5.1 pt -109.44 170.3 3.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.155 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.1 m -93.8 145.57 24.5 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.482 -0.761 . . . . 0.0 109.265 179.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -62.95 -31.71 72.87 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -66.1 -37.6 86.16 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.528 -0.733 . . . . 0.0 109.027 178.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -65.23 -28.13 69.15 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 24' ' ' ILE . 64.8 m -112.2 53.53 0.73 Allowed 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.673 -0.642 . . . . 0.0 110.126 -178.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.58 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 52.7 mt -85.64 7.59 22.73 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.122 -0.986 . . . . 0.0 110.127 178.659 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.76 -36.96 56.73 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.406 -0.809 . . . . 0.0 108.972 179.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.12 26.97 9.85 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.058 178.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 52.9 ttp180 -72.82 122.11 21.03 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.003 -1.061 . . . . 0.0 109.415 179.387 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -163.16 164.84 25.07 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.455 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -106.06 120.56 42.12 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.474 -0.766 . . . . 0.0 109.205 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CE1' ' HA ' ' A' ' 126' ' ' ILE . 54.1 m-85 -65.23 -46.19 81.62 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.345 179.124 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.69 68.22 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.7 t80 -71.6 131.94 85.83 Favored Pre-proline 0 C--O 1.217 -0.653 0 O-C-N 121.519 -0.989 . . . . 0.0 108.934 179.369 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.546 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.3 Cg_endo -81.53 70.65 7.23 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 O-C-N 123.722 1.38 . . . . 0.0 110.952 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.69 -19.99 60.66 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.272 -0.893 . . . . 0.0 109.347 178.478 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -29.08 67.1 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 108.874 177.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -96.43 29.98 2.71 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.625 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 4.6 m-85 -139.12 16.69 2.62 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.323 -0.861 . . . . 0.0 110.145 -179.382 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.29 -88.37 1.42 Allowed Glycine 0 C--O 1.218 -0.893 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -178.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -71.95 151.47 43.25 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.891 -0.77 . . . . 0.0 109.261 -179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 69.42 19.33 7.65 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.633 -0.667 . . . . 0.0 109.343 -178.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.445 ' HB3' ' OG1' ' A' ' 52' ' ' THR . 72.5 m-85 -143.92 82.38 1.72 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.154 -0.966 . . . . 0.0 109.109 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -77.51 -164.32 0.47 Allowed 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.521 -0.737 . . . . 0.0 109.253 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -75.84 -2.58 30.73 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.132 -0.98 . . . . 0.0 110.677 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . . . -128.73 4.55 5.49 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.142 -0.974 . . . . 0.0 110.744 179.375 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -105.36 -31.56 8.99 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 120.858 -1.151 . . . . 0.0 109.944 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.481 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -87.34 -6.38 58.52 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 121.57 -0.706 . . . . 0.0 109.575 178.635 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.584 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 37.3 mt -52.69 -45.69 96.5 Favored Pre-proline 0 C--O 1.212 -0.896 0 O-C-N 121.295 -0.878 . . . . 0.0 111.578 -178.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -63.9 -31.23 67.52 Favored 'Trans proline' 0 C--N 1.356 0.963 0 O-C-N 123.138 1.073 . . . . 0.0 110.44 179.107 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.693 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.8 t -78.09 -33.46 18.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.618 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.598 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.2 mt -72.93 -28.26 62.35 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.463 -0.773 . . . . 0.0 109.554 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -76.31 -43.52 40.98 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.27 -179.132 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' HG2' ' CG2' ' A' ' 116' ' ' ILE . 1.1 tp10 -72.78 -33.67 66.44 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 109.403 179.317 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.531 ' HE2' ' CE1' ' A' ' 38' ' ' PHE . 10.8 ttt -71.43 -42.55 68.12 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.379 -0.826 . . . . 0.0 109.261 179.411 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.479 HG21 ' CD2' ' A' ' 88' ' ' LEU . 28.5 mt -71.01 -23.57 23.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.221 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -72.68 -33.77 66.75 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.51 -36.23 68.32 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.803 -0.561 . . . . 0.0 109.542 178.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.486 HG22 HD11 ' A' ' 63' ' ' ILE . 79.0 mt -75.52 -31.42 23.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 121.301 -0.874 . . . . 0.0 108.681 178.067 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.443 ' HA ' HD11 ' A' ' 88' ' ' LEU . 48.1 t80 -63.63 -43.83 95.65 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 121.647 -0.658 . . . . 0.0 109.402 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -80.34 -39.09 29.27 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.591 -0.693 . . . . 0.0 109.589 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 tp -57.98 -31.86 67.31 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.485 -0.759 . . . . 0.0 109.246 178.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.453 ' CE1' HG21 ' A' ' 63' ' ' ILE . 6.8 m-85 -94.52 -28.5 15.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -74.98 -15.74 60.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.308 -0.87 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 p -57.34 153.39 12.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.188 -0.945 . . . . 0.0 109.922 -179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 3.2 tppp? -64.86 -21.07 66.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.618 -0.676 . . . . 0.0 109.69 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.37 -40.83 49.99 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.409 -0.807 . . . . 0.0 109.62 179.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.47 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 25.5 t -80.02 -32.62 39.58 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.512 -0.742 . . . . 0.0 110.188 -179.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.542 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 83.3 p -65.1 -37.06 86.26 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.405 -0.809 . . . . 0.0 109.434 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.39 -19.83 35.32 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.46 58.78 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.466 -0.771 . . . . 0.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.648 ' CE3' ' HG2' ' A' ' 21' ' ' MET . 79.7 m95 -119.59 173.75 6.82 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.512 -0.743 . . . . 0.0 109.812 -178.444 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -68.89 130.87 44.02 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -28.1 69.86 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.514 -0.742 . . . . 0.0 110.593 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.8 m -77.76 -44.07 28.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.165 -0.959 . . . . 0.0 108.935 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.21 -38.4 91.02 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.542 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.21 -33.02 69.53 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 121.643 -0.661 . . . . 0.0 109.252 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.71 -53.14 61.17 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.14 -31.06 72.06 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.519 ' HA ' HD12 ' A' ' 17' ' ' LEU . 25.8 t80 -66.6 -30.97 71.38 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.662 -0.649 . . . . 0.0 109.608 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.07 -36.3 59.04 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.12 -0.987 . . . . 0.0 109.136 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.2 m -68.22 -39.75 82.28 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.587 -0.696 . . . . 0.0 109.572 -179.462 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -71.42 -33.92 69.85 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.604 179.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.479 ' CD2' HG21 ' A' ' 60' ' ' ILE . 65.2 mt -67.87 -40.87 83.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 121.41 -0.806 . . . . 0.0 109.316 178.696 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.467 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -72.37 -34.47 67.97 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.542 -0.724 . . . . 0.0 110.331 -179.276 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.69 -51.46 62.37 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.235 -0.916 . . . . 0.0 109.182 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.17 -27.49 67.33 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.1 mt -69.15 -34.58 75.21 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.482 -0.761 . . . . 0.0 109.456 178.341 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.25 -39.06 68.72 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.38 -39.25 81.83 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 109.252 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.3 mt -65.59 -48.75 71.25 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.734 -0.604 . . . . 0.0 110.348 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.524 ' O ' HG12 ' A' ' 100' ' ' ILE . 11.0 pt-20 -66.34 -28.09 68.39 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.416 -0.802 . . . . 0.0 110.179 -179.03 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.544 ' CB ' ' HA ' ' A' ' 1' ' ' CYS . . . -58.13 -45.3 87.58 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.503 -0.748 . . . . 0.0 109.893 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.533 ' SG ' ' CD1' ' A' ' 53' ' ' ILE . 2.1 m -60.51 -34.99 74.88 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.277 -0.889 . . . . 0.0 109.125 178.385 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.74 -37.92 64.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 O-C-N 121.732 -0.605 . . . . 0.0 109.854 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 96' ' ' GLU . 26.0 mm -57.46 -56.35 15.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 O-C-N 121.357 -0.839 . . . . 0.0 108.96 179.637 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -87.08 -172.53 4.01 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.44 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -113.63 61.6 0.33 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 179.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.7 t -92.36 44.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.727 -0.866 . . . . 0.0 109.678 -178.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.01 91.09 2.01 Favored Glycine 0 C--O 1.215 -1.076 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.5 t -145.75 147.65 18.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 O-C-N 121.626 -0.926 . . . . 0.0 108.974 -179.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.46 ' HB ' ' CD ' ' A' ' 109' ' ' PRO . 65.0 p -64.37 135.95 56.65 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.593 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.47 -63.93 0.98 Allowed 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.556 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 0.7 OUTLIER -171.35 54.64 0.21 Allowed Pre-proline 0 N--CA 1.474 0.764 0 O-C-N 121.731 -0.606 . . . . 0.0 110.48 179.31 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.565 ' HD2' ' HB2' ' A' ' 112' ' ' LYS . 55.3 Cg_endo -90.11 169.93 4.18 Favored 'Trans proline' 0 C--N 1.351 0.689 0 O-C-N 123.102 1.054 . . . . 0.0 110.295 178.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.2 tp -70.95 -27.1 63.5 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.227 -0.921 . . . . 0.0 109.136 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.481 ' HG3' ' HB2' ' A' ' 109' ' ' PRO . 4.2 ppp? -72.25 -5.78 38.34 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.535 -0.728 . . . . 0.0 110.76 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.565 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 14.9 tmtt? -55.03 -61.13 2.51 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.06 -1.025 . . . . 0.0 109.546 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 9.6 pt-20 -103.9 16.82 25.44 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 121.49 -0.756 . . . . 0.0 110.083 179.213 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.431 ' CB ' ' HA ' ' A' ' 111' ' ' MET . 26.4 t70 -71.83 -43.24 65.92 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.03 -1.044 . . . . 0.0 108.766 178.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.652 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 20.6 t -66.89 -35.56 80.28 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.693 HG12 ' HA ' ' A' ' 55' ' ' VAL . 58.3 mt -70.13 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.394 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -68.0 -35.61 78.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.05 87.4 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.447 HG12 ' HG3' ' A' ' 59' ' ' MET . 81.4 t -66.88 -24.38 32.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.521 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.35 -46.54 69.88 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.407 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.39 -30.94 67.97 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.346 179.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.482 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 61.7 t80 -65.94 -48.81 70.12 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.545 -0.722 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -71.67 -22.31 61.68 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.727 -0.608 . . . . 0.0 110.015 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.03 -40.02 82.99 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -69.52 -38.99 77.79 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.521 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 68.6 mt -62.1 -41.95 93.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 O-C-N 121.637 -0.665 . . . . 0.0 109.555 178.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 91.0 m -67.56 -39.83 84.92 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.411 -0.806 . . . . 0.0 109.571 -179.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.8 -47.17 84.62 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.47 -0.769 . . . . 0.0 110.17 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.507 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 11.3 t80 -60.77 -35.0 75.31 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.482 -0.761 . . . . 0.0 109.398 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.39 -39.74 85.61 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.587 -0.696 . . . . 0.0 109.227 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -71.94 -25.74 62.0 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.283 -0.886 . . . . 0.0 109.611 178.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.37 -51.33 30.66 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.389 -0.819 . . . . 0.0 109.557 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -80.83 2.87 24.56 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.6 -0.687 . . . . 0.0 109.722 178.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 60.71 39.63 17.22 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.076 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 61.32 50.51 4.72 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.582 -0.699 . . . . 0.0 110.312 177.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.492 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.7 m -79.62 162.98 61.02 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.403 -0.81 . . . . 0.0 109.123 178.186 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -67.97 -37.63 14.76 Favored 'Trans proline' 0 C--N 1.351 0.677 0 O-C-N 123.637 1.335 . . . . 0.0 111.455 -179.241 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.46 -42.15 71.86 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.324 -0.86 . . . . 0.0 109.24 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.76 -37.74 85.42 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.47 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 20.2 m95 -68.29 -33.04 73.62 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.546 -0.721 . . . . 0.0 109.726 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -63.46 -40.32 96.8 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.342 -0.848 . . . . 0.0 108.909 178.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.544 HG23 ' HA ' ' A' ' 33' ' ' ARG . 78.0 t -65.13 -44.44 95.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.139 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.23 -22.14 25.66 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 O-C-N 121.934 -0.479 . . . . 0.0 110.074 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.446 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 25.4 ttp85 -72.51 -47.04 51.69 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.972 -1.08 . . . . 0.0 108.823 179.229 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.88 -34.38 77.66 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 53.8 mm-40 -70.68 -37.06 73.61 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.802 -0.561 . . . . 0.0 110.069 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.8 mm -73.17 -34.7 45.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.364 -0.835 . . . . 0.0 109.619 179.283 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.1 ttm -70.69 -38.99 73.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.447 -0.783 . . . . 0.0 109.203 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -70.49 -46.32 63.96 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 121.6 -0.687 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.3 p -63.69 -39.63 94.81 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.667 -0.645 . . . . 0.0 110.011 -179.455 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.418 ' HE2' ' HB ' ' A' ' 14' ' ' THR . 19.9 t80 -72.14 -36.4 69.34 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.466 -0.771 . . . . 0.0 110.02 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 15' ' ' LEU . 79.1 p -70.94 -33.58 70.63 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.385 -0.822 . . . . 0.0 108.94 178.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.89 -40.03 83.58 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.598 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 67.7 m -70.26 -36.94 74.78 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.82 -0.55 . . . . 0.0 110.275 -179.007 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.8 p -94.69 1.61 55.52 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.538 -179.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -68.38 -8.64 42.07 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.04 -1.037 . . . . 0.0 111.16 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.69 -33.43 66.43 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 120.795 -1.191 . . . . 0.0 110.042 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -78.43 -33.18 48.72 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.353 -0.842 . . . . 0.0 111.174 -178.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' A' ' 163' ' ' SER . 1.4 tp10 -100.94 -2.45 31.83 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 120.807 -1.183 . . . . 0.0 111.517 -177.132 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 24.9 m -81.69 -62.21 1.71 Allowed 'General case' 0 C--O 1.217 -0.644 0 O-C-N 120.96 -1.088 . . . . 0.0 109.946 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.6 mp -110.51 -39.6 4.87 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.371 -0.831 . . . . 0.0 110.525 -178.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 82.1 mtm-85 -92.26 43.42 1.13 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.161 -0.962 . . . . 0.0 110.007 -178.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.502 ' HB3' ' HA ' ' A' ' 159' ' ' GLU . 23.5 p -89.7 94.19 9.75 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.261 -0.899 . . . . 0.0 109.557 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -143.99 84.51 1.78 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.459 -0.776 . . . . 0.0 108.952 179.627 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.524 -179.521 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.657 ' HB2' HG21 ' A' ' 155' ' ' THR . 79.3 p . . . . . 0 C--O 1.216 -0.706 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.05 -36.77 84.67 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.505 -0.747 . . . . 0.0 109.191 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 62.7 mtt85 -71.8 -37.06 70.45 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.399 -0.813 . . . . 0.0 109.492 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.428 HG22 ' HE1' ' A' ' 84' ' ' PHE . 13.0 m -59.42 -42.92 92.95 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.432 -0.792 . . . . 0.0 109.251 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.942 HD23 HD12 ' A' ' 18' ' ' LEU . 91.6 mt -74.46 -32.84 62.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.618 -0.676 . . . . 0.0 109.632 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.3 ttp -61.64 -35.08 76.9 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 84' ' ' PHE . 90.0 mt -67.46 -45.66 75.34 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.942 HD12 HD23 ' A' ' 15' ' ' LEU . 55.5 mt -58.72 -30.86 67.78 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.618 ' O ' ' HG2' ' A' ' 22' ' ' ARG . . . -70.02 -50.02 45.56 Favored 'General case' 0 C--O 1.211 -0.956 0 O-C-N 121.52 -0.737 . . . . 0.0 109.722 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -68.51 -21.0 64.61 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 120.986 -1.071 . . . . 0.0 109.898 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.559 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 53.7 mtp -73.39 -26.52 61.03 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.423 -0.798 . . . . 0.0 111.202 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 19.5 ptt-85 -64.27 124.18 21.05 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 120.702 -1.249 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.5 mptm? -90.67 -36.37 14.39 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.001 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pt -115.9 170.49 5.69 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 CA-C-O 121.399 0.619 . . . . 0.0 109.363 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -97.03 154.07 17.54 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.648 -0.657 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD21 ' NE ' ' A' ' 33' ' ' ARG . 52.8 tp -63.22 -29.62 70.92 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -68.82 -38.13 79.66 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -66.51 -27.89 68.13 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.449 -0.782 . . . . 0.0 108.896 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.001 ' SG ' HD12 ' A' ' 24' ' ' ILE . 35.5 m -112.84 53.37 0.75 Allowed 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.424 -0.798 . . . . 0.0 110.214 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.6 mt -83.03 3.18 31.38 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.172 -0.955 . . . . 0.0 109.816 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -81.86 -31.4 31.58 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.418 -0.801 . . . . 0.0 108.938 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.646 ' O ' HG21 ' A' ' 142' ' ' VAL . 66.7 m-20 -102.99 21.86 14.96 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.676 -0.64 . . . . 0.0 109.752 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.426 ' NE ' HD21 ' A' ' 26' ' ' LEU . 14.7 tpp85 -62.46 115.28 4.09 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.103 -0.998 . . . . 0.0 109.284 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -154.59 108.4 2.93 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -75.45 112.92 12.26 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.554 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 51.5 m-85 -63.44 -37.79 88.66 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.578 -0.701 . . . . 0.0 109.437 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.76 74.62 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 79.0 t80 -61.84 132.5 93.42 Favored Pre-proline 0 C--O 1.216 -0.666 0 O-C-N 121.543 -0.974 . . . . 0.0 108.46 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.836 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 49.8 Cg_endo -80.89 76.38 4.55 Favored 'Trans proline' 0 C--N 1.349 0.582 0 O-C-N 123.732 1.385 . . . . 0.0 110.857 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.526 ' OE1' HD22 ' A' ' 153' ' ' LEU . 4.9 tt0 -81.52 -4.7 56.7 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.381 -0.824 . . . . 0.0 109.326 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.03 -32.32 69.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.147 -0.97 . . . . 0.0 108.731 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 115' ' ' SER . 2.2 tp10 -99.22 23.21 9.45 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.567 -0.708 . . . . 0.0 109.311 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 32.4 m-85 . . . . . 0 C--O 1.216 -0.673 0 O-C-N 121.373 -0.83 . . . . 0.0 109.302 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.215 -0.759 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.766 HG23 HD23 ' A' ' 95' ' ' LEU . 56.7 mt -57.17 -43.48 99.27 Favored Pre-proline 0 C--O 1.215 -0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 110.128 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -65.06 -25.69 58.59 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 123.08 1.042 . . . . 0.0 110.163 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.825 ' HA ' HG12 ' A' ' 116' ' ' ILE . 17.0 t -77.23 -41.14 30.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.9 mt -66.29 -30.47 70.9 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -69.39 -49.69 52.94 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.449 -0.782 . . . . 0.0 109.48 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.568 ' HG3' HD13 ' A' ' 116' ' ' ILE . 8.1 mm-40 -68.3 -30.03 68.94 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.739 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.453 ' HE1' ' O ' ' A' ' 150' ' ' SER . 3.0 ttt -67.41 -50.75 58.12 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.628 HG23 ' CD2' ' A' ' 88' ' ' LEU . 13.7 mt -66.63 -21.28 28.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 121.623 -0.673 . . . . 0.0 109.472 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.0 -40.13 63.16 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.48 -35.84 78.09 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.493 -0.755 . . . . 0.0 109.463 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.51 HG23 ' CE1' ' A' ' 67' ' ' PHE . 81.0 mt -73.53 -32.52 36.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.65 ' HA ' HD13 ' A' ' 88' ' ' LEU . 51.7 t80 -62.16 -42.78 99.59 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.734 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.746 ' O ' HG23 ' A' ' 69' ' ' THR . 55.8 t30 -80.2 -40.22 27.61 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.518 -0.739 . . . . 0.0 109.57 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 130' ' ' LEU . 32.0 tp -56.88 -32.46 65.88 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.479 -0.763 . . . . 0.0 109.428 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.51 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.8 m-85 -96.24 -27.15 15.14 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.629 -0.67 . . . . 0.0 110.073 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.472 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 22.9 t -72.63 -23.03 60.87 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.254 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 65' ' ' ASN . 36.1 p -53.09 146.66 10.93 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.758 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -62.26 -20.62 64.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.524 -0.735 . . . . 0.0 109.928 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.06 -39.97 60.56 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.435 -0.791 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -83.26 -28.1 29.4 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.503 -0.748 . . . . 0.0 109.404 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.516 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 30.9 t -67.62 -33.88 75.87 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.462 -0.774 . . . . 0.0 109.196 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.37 26.97 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.15 62.78 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 63.7 m95 -122.67 166.84 14.24 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.485 -0.759 . . . . 0.0 109.779 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.21 129.21 39.73 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -61.8 -24.37 66.81 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.603 -0.685 . . . . 0.0 110.316 -179.529 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -80.69 -45.83 16.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.157 -0.964 . . . . 0.0 108.828 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 80' ' ' LEU . 87.6 mt -62.51 -35.5 79.58 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 81' ' ' LEU . 11.3 mt -74.28 -34.41 63.55 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 55.9 t0 -55.0 -52.86 61.82 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -65.39 -33.6 76.34 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.838 ' CE2' HD11 ' A' ' 88' ' ' LEU . 36.6 t80 -65.51 -28.37 69.14 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -76.03 -39.11 56.35 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.04 -1.038 . . . . 0.0 108.872 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.9 m -68.27 -33.41 74.31 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.626 -0.671 . . . . 0.0 109.192 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 14' ' ' THR . 16.1 tp10 -74.22 -38.02 63.68 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.51 -0.744 . . . . 0.0 109.087 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.838 HD11 ' CE2' ' A' ' 84' ' ' PHE . 74.6 mt -65.09 -39.6 93.42 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.478 -0.764 . . . . 0.0 109.078 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.496 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -75.21 -24.82 57.81 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.537 -0.727 . . . . 0.0 109.78 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -71.21 -49.4 43.88 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.191 -0.943 . . . . 0.0 108.573 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.13 -28.12 67.04 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 15.6 mt -72.16 -33.63 67.86 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.297 -0.877 . . . . 0.0 109.498 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.38 -43.14 67.46 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 109.376 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -67.69 -46.82 71.21 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.508 -0.745 . . . . 0.0 109.114 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.766 HD23 HG23 ' A' ' 53' ' ' ILE . 77.3 mt . . . . . 0 C--O 1.217 -0.632 0 O-C-N 121.918 -0.489 . . . . 0.0 109.931 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--O 1.214 -0.782 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.686 ' HB2' HG21 ' A' ' 55' ' ' VAL . 67.6 m -67.89 -41.34 82.89 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.149 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.825 HG12 ' HA ' ' A' ' 55' ' ' VAL . 14.1 mt -75.71 -37.26 35.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 0.9 OUTLIER -64.94 -31.37 72.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.836 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -72.17 -48.1 45.93 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.171 -0.956 . . . . 0.0 108.61 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.76 -31.27 51.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 121.773 -0.58 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.61 -35.93 67.97 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.838 -1.164 . . . . 0.0 109.581 -178.729 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 120' ' ' ARG . 56.1 mtmt -73.07 -31.67 64.54 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.198 -0.939 . . . . 0.0 108.642 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.714 ' CE2' HD11 ' A' ' 126' ' ' ILE . 80.7 t80 -64.77 -50.7 65.78 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.469 ' CE2' HG12 ' A' ' 63' ' ' ILE . 23.1 m-85 -67.73 -26.85 66.35 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.782 -0.574 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -63.23 -42.04 99.19 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.67 -38.06 83.23 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.714 HD11 ' CE2' ' A' ' 122' ' ' TYR . 67.0 mt -60.8 -38.81 79.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 O-C-N 121.573 -0.704 . . . . 0.0 109.167 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 m -66.56 -40.36 88.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.392 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 128' ' ' LEU . 6.2 tt -62.4 -45.06 94.85 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.416 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.3 t80 -58.6 -35.21 72.07 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.674 -0.641 . . . . 0.0 109.569 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 66' ' ' LEU . 83.5 mt -69.34 -42.44 75.29 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -69.66 -26.06 64.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.909 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.59 -49.38 21.93 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.378 -0.826 . . . . 0.0 109.37 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.644 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.2 mptt -82.26 3.0 29.23 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 109.716 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 56.16 46.81 20.73 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.417 -0.802 . . . . 0.0 109.197 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.95 49.21 16.3 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.665 -0.647 . . . . 0.0 109.724 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 133' ' ' LYS . 46.7 t -72.46 150.44 91.52 Favored Pre-proline 0 C--O 1.216 -0.684 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.45 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.4 -30.82 62.61 Favored 'Trans proline' 0 C--N 1.352 0.721 0 O-C-N 123.583 1.307 . . . . 0.0 110.759 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.07 -41.1 51.57 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.644 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.75 -38.52 90.87 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 109.082 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.613 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 13.6 m95 -67.43 -33.09 74.44 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.577 -0.702 . . . . 0.0 109.76 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.591 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -67.23 -46.48 73.65 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.646 HG21 ' O ' ' A' ' 32' ' ' ASP . 72.9 t -60.25 -40.67 84.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 139' ' ' ALA . 91.5 t -69.83 -26.08 29.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 121.676 -0.64 . . . . 0.0 109.478 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.701 ' NH1' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -66.3 -50.6 63.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.275 -0.891 . . . . 0.0 108.826 178.594 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.72 -33.48 75.72 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.433 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 47.2 mm-40 -68.26 -36.78 79.96 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.617 -0.677 . . . . 0.0 109.833 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 143' ' ' VAL . 21.4 mm -72.83 -36.97 53.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 121.355 -0.841 . . . . 0.0 109.108 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.436 ' HG3' HD22 ' A' ' 15' ' ' LEU . 31.7 ttm -65.03 -45.13 86.75 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.492 -0.755 . . . . 0.0 109.904 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -69.84 -43.8 71.24 Favored 'General case' 0 C--O 1.211 -0.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.918 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.543 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 64.2 p -63.32 -40.43 97.31 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.466 -0.771 . . . . 0.0 109.876 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.941 ' HB3' HD21 ' A' ' 15' ' ' LEU . 45.6 t80 -71.44 -39.15 71.19 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.44 -0.787 . . . . 0.0 109.969 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.403 ' HB3' HD13 ' A' ' 15' ' ' LEU . 65.3 p -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.478 -0.764 . . . . 0.0 109.162 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.526 HD22 ' OE1' ' A' ' 40' ' ' GLN . 56.1 mt -71.87 -37.94 70.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 3.7 m -75.02 -32.85 61.7 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.548 -0.72 . . . . 0.0 109.821 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.657 HG21 ' HB2' ' A' ' 11' ' ' SER . 34.0 p -89.79 -5.82 56.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.348 -0.845 . . . . 0.0 110.49 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 41.6 t30 . . . . . 0 C--O 1.217 -0.639 0 O-C-N 121.164 -0.96 . . . . 0.0 109.587 178.588 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.213 -0.827 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.45 -42.43 87.62 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.592 -0.693 . . . . 0.0 109.868 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -74.19 -40.9 62.21 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.432 -0.793 . . . . 0.0 110.079 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 17' ' ' LEU . 57.9 m -62.71 -45.83 90.93 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.366 -0.834 . . . . 0.0 109.605 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.832 HD21 ' HB3' ' A' ' 151' ' ' PHE . 41.7 mt -66.99 -33.31 75.29 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.712 -0.617 . . . . 0.0 109.598 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -64.81 -40.16 94.76 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.261 -0.9 . . . . 0.0 108.792 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.854 HD11 ' HG3' ' A' ' 87' ' ' GLU . 53.5 mt -60.49 -47.24 86.99 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 84' ' ' PHE . 82.7 mt -58.54 -37.7 76.24 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.818 -0.552 . . . . 0.0 109.614 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.72 -46.63 89.66 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.634 -0.666 . . . . 0.0 109.683 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -73.67 -21.35 60.29 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.508 -0.745 . . . . 0.0 110.136 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.519 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -70.91 -22.81 62.2 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 121.287 -0.883 . . . . 0.0 110.717 -179.515 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB3' ' NH2' ' A' ' 22' ' ' ARG . 12.0 ttp-105 -63.92 116.61 5.99 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.932 -1.105 . . . . 0.0 109.792 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.1 mptm? -92.67 -36.28 13.04 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.628 -0.67 . . . . 0.0 109.643 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.1 pt -114.22 165.29 9.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 121.65 0.738 . . . . 0.0 110.305 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -84.49 140.63 31.33 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.623 -0.673 . . . . 0.0 109.223 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.54 ' O ' HD13 ' A' ' 30' ' ' LEU . 43.3 tp -59.84 -39.14 84.13 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.783 ' HA ' HD13 ' A' ' 30' ' ' LEU . 91.1 m-85 -58.2 -41.23 83.54 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -59.03 -33.41 70.71 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.866 ' SG ' HD12 ' A' ' 24' ' ' ILE . 68.2 m -101.88 50.92 0.84 Allowed 'General case' 0 C--O 1.219 -0.525 0 O-C-N 121.825 -0.547 . . . . 0.0 109.602 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.783 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.84 7.34 27.52 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.316 -0.865 . . . . 0.0 109.715 178.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -101.87 -21.63 14.52 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.241 -0.912 . . . . 0.0 109.2 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.721 ' O ' HG21 ' A' ' 142' ' ' VAL . 11.5 t70 -112.4 26.72 10.29 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.519 -0.738 . . . . 0.0 109.594 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -87.09 122.29 30.7 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.057 -1.027 . . . . 0.0 109.531 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -141.17 147.99 39.3 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.599 -0.688 . . . . 0.0 109.571 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.76 126.91 33.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.528 -0.733 . . . . 0.0 109.309 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.4 m-85 -85.34 -51.37 6.61 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.594 -0.691 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 67.02 0.53 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 85.2 t80 -76.59 131.8 73.51 Favored Pre-proline 0 C--O 1.217 -0.621 0 O-C-N 121.548 -0.972 . . . . 0.0 108.826 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 55.1 Cg_endo -80.59 70.73 7.4 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 O-C-N 123.808 1.425 . . . . 0.0 111.459 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.668 ' HG2' HD22 ' A' ' 153' ' ' LEU . 41.8 tp60 -79.45 -22.89 43.55 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.202 -0.937 . . . . 0.0 108.996 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -28.82 65.39 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.28 -0.887 . . . . 0.0 109.167 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.1 35.91 2.26 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CD2' ' HA ' ' A' ' 154' ' ' SER . 1.3 m-85 . . . . . 0 C--O 1.215 -0.752 0 O-C-N 121.362 -0.836 . . . . 0.0 111.621 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.491 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.21 -0.98 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.81 HG23 HD23 ' A' ' 95' ' ' LEU . 22.9 mt -54.57 -46.05 99.32 Favored Pre-proline 0 C--O 1.213 -0.839 0 O-C-N 120.982 -1.074 . . . . 0.0 110.496 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.1 Cg_endo -67.56 -32.24 31.71 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.204 1.107 . . . . 0.0 110.679 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.768 ' HA ' HG12 ' A' ' 116' ' ' ILE . 6.0 t -71.51 -44.88 70.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.597 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 86.9 mt -62.25 -35.61 79.47 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.468 ' O ' HD21 ' A' ' 92' ' ' LEU . 61.5 t-80 -59.76 -53.57 56.43 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.759 -0.588 . . . . 0.0 109.731 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 116' ' ' ILE . 3.4 mt-10 -69.27 -23.66 63.87 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.213 -0.93 . . . . 0.0 109.614 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 ttt -70.13 -35.78 74.33 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.316 -0.865 . . . . 0.0 108.746 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.627 HG23 ' CD2' ' A' ' 88' ' ' LEU . 15.3 mm -70.43 -33.1 52.41 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -68.94 -34.22 74.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.435 -0.791 . . . . 0.0 108.963 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -71.65 -41.52 68.69 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.431 -0.793 . . . . 0.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.539 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.9 mt -73.64 -25.11 20.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.337 -0.852 . . . . 0.0 108.797 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.561 ' HA ' HD13 ' A' ' 88' ' ' LEU . 24.6 t80 -68.03 -47.12 69.3 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.328 -0.858 . . . . 0.0 109.285 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.568 ' O ' HG23 ' A' ' 69' ' ' THR . 43.2 t30 -77.69 -34.96 52.64 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.544 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 130' ' ' LEU . 52.9 tp -61.85 -28.85 69.78 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 121.396 -0.815 . . . . 0.0 109.499 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.7 m-85 -101.25 -21.78 14.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.388 -0.82 . . . . 0.0 109.926 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 8.6 t -80.17 -22.74 41.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.831 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 65' ' ' ASN . 2.4 p -50.54 147.26 4.71 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 110.007 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.52 -26.62 68.65 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.848 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.459 ' HB2' ' CG ' ' A' ' 135' ' ' TYR . 1.4 p30 -74.45 -15.51 60.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.165 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.472 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.4 m -104.99 -32.96 8.5 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.338 -0.851 . . . . 0.0 109.587 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 59.9 m -64.32 -31.72 73.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.649 -0.657 . . . . 0.0 109.335 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.46 -29.99 25.63 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.31 87.08 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.693 -0.63 . . . . 0.0 110.05 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.401 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 68.2 m95 -114.27 173.88 6.23 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.602 -0.686 . . . . 0.0 109.856 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.75 132.55 45.51 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.4 pp20? -64.33 -26.38 68.45 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.439 -0.788 . . . . 0.0 110.3 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -78.68 -45.03 22.3 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.12 -0.988 . . . . 0.0 108.728 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 80' ' ' LEU . 92.5 mt -62.42 -39.46 93.37 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.84 -33.11 70.33 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 10.6 t70 -55.76 -51.49 67.19 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 74.4 mmtt -65.22 -35.11 80.03 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.847 ' HA ' HD13 ' A' ' 17' ' ' LEU . 26.2 t80 -63.66 -30.36 71.48 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.712 -0.618 . . . . 0.0 109.616 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 24.6 m-85 -75.26 -43.71 49.94 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.048 -1.033 . . . . 0.0 109.396 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -64.83 -35.3 80.66 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.561 -0.712 . . . . 0.0 109.922 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.854 ' HG3' HD11 ' A' ' 17' ' ' LEU . 60.2 mm-40 -73.94 -31.94 63.27 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.236 -0.915 . . . . 0.0 109.533 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 84' ' ' PHE . 59.4 mt -69.92 -41.37 74.72 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.506 -0.746 . . . . 0.0 109.747 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.497 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 11.6 t80 -77.34 -33.93 55.32 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.264 -0.897 . . . . 0.0 110.134 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -65.53 -47.26 76.52 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.226 -0.922 . . . . 0.0 108.707 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -66.84 -28.62 68.49 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.508 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.6 mt -68.34 -35.56 77.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.543 -0.723 . . . . 0.0 109.48 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.23 -42.11 76.11 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.392 -0.818 . . . . 0.0 109.236 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.35 -41.33 85.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.485 -0.759 . . . . 0.0 109.451 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.81 HD23 HG23 ' A' ' 53' ' ' ILE . 63.3 mt . . . . . 0 C--O 1.216 -0.691 0 O-C-N 121.829 -0.544 . . . . 0.0 110.316 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.215 -0.721 0 CA-C-O 120.722 0.296 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.482 ' OG ' HG22 ' A' ' 55' ' ' VAL . 16.0 p -61.15 -49.66 76.31 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.281 -0.887 . . . . 0.0 108.836 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.768 HG12 ' HA ' ' A' ' 55' ' ' VAL . 77.1 mt -67.44 -28.49 42.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.756 HD23 ' HD3' ' A' ' 120' ' ' ARG . 32.9 mt -66.25 -32.94 74.67 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.94 -44.67 76.27 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.02 -25.19 29.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 121.319 -0.863 . . . . 0.0 108.981 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.756 ' HD3' HD23 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.34 -43.76 73.0 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.151 -0.968 . . . . 0.0 109.92 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 118' ' ' ALA . 18.8 ptpt -69.67 -31.09 68.96 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.394 -0.816 . . . . 0.0 109.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.687 ' CE2' HD11 ' A' ' 126' ' ' ILE . 56.6 t80 -66.06 -51.71 55.67 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.478 -0.764 . . . . 0.0 109.076 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.48 -24.44 64.69 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.694 -0.629 . . . . 0.0 109.982 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -64.22 -41.84 96.85 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.25 -34.73 75.25 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.687 HD11 ' CE2' ' A' ' 122' ' ' TYR . 47.2 mt -66.09 -36.31 77.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.419 -0.801 . . . . 0.0 109.492 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.3 m -68.27 -42.89 78.91 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.422 -0.799 . . . . 0.0 109.173 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -69.21 -31.79 70.62 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.554 -0.716 . . . . 0.0 109.379 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.83 -43.36 99.02 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.532 -0.73 . . . . 0.0 109.289 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 66' ' ' LEU . 52.7 mt -67.0 -37.49 84.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -69.38 -29.55 67.34 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.489 -0.757 . . . . 0.0 109.716 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.466 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 7.2 tt0 -71.07 -50.15 36.91 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.466 -0.771 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.6 mptp? -81.29 3.67 23.22 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.767 -0.583 . . . . 0.0 109.748 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 55.23 44.85 26.93 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.459 ' CG ' ' HB2' ' A' ' 71' ' ' ASP . 32.1 m-85 59.13 53.58 5.39 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.653 -0.654 . . . . 0.0 110.025 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 133' ' ' LYS . 18.6 m -76.12 161.17 76.28 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.381 -0.825 . . . . 0.0 109.153 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.51 -41.89 3.01 Favored 'Trans proline' 0 C--O 1.216 -0.623 0 O-C-N 123.732 1.385 . . . . 0.0 110.779 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.96 -34.87 73.96 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.494 -0.754 . . . . 0.0 109.158 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -65.81 -37.47 86.36 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.529 -0.732 . . . . 0.0 109.356 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.472 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 17.9 m95 -70.54 -34.19 72.0 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.486 -0.759 . . . . 0.0 109.865 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HG3' HG13 ' A' ' 24' ' ' ILE . 11.6 tm-20 -67.7 -43.08 80.93 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.721 HG21 ' O ' ' A' ' 32' ' ' ASP . 82.4 t -61.84 -40.99 88.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 139' ' ' ALA . 85.4 t -71.95 -25.68 24.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.69 -0.632 . . . . 0.0 109.488 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.485 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 2.1 tmt_? -65.5 -51.12 62.32 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.63 73.02 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 120.999 0.428 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.05 -33.8 68.26 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.428 -0.795 . . . . 0.0 110.038 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 mm -76.13 -35.86 29.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.826 0 O-C-N 121.411 -0.806 . . . . 0.0 109.502 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.471 ' SD ' HD22 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -74.9 -33.72 62.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.491 -0.756 . . . . 0.0 109.217 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -43.9 57.38 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.363 -0.836 . . . . 0.0 109.05 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.615 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.9 p -65.49 -32.67 74.41 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.514 -0.741 . . . . 0.0 109.121 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.832 ' HB3' HD21 ' A' ' 15' ' ' LEU . 12.3 t80 -69.71 -44.85 69.52 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.9 t -62.9 -36.52 83.63 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.668 HD22 ' HG2' ' A' ' 40' ' ' GLN . 65.6 mt -64.9 -49.98 68.34 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.605 -0.685 . . . . 0.0 109.554 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 51.5 p -60.11 -40.45 89.72 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.809 -0.557 . . . . 0.0 110.568 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.808 HG21 ' CE1' ' A' ' 151' ' ' PHE . 17.6 p -93.61 0.89 56.74 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.866 -0.521 . . . . 0.0 111.103 -175.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 . . . . . 0 CA--C 1.542 0.643 0 O-C-N 121.132 -0.98 . . . . 0.0 109.215 177.365 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.522 ' HB2' HG21 ' A' ' 155' ' ' THR . 72.7 p . . . . . 0 C--O 1.217 -0.65 0 CA-C-O 120.984 0.421 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -63.13 -41.11 99.26 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.503 -0.748 . . . . 0.0 109.584 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 20.9 tpp180 -71.04 -35.63 72.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.477 -0.765 . . . . 0.0 109.862 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.3 m -62.88 -44.98 94.65 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.389 -0.819 . . . . 0.0 109.318 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 151' ' ' PHE . 74.7 mt -68.12 -31.68 71.45 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.586 -0.697 . . . . 0.0 109.175 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.22 -38.18 90.13 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 17' ' ' LEU . 37.7 mt -64.1 -41.85 97.13 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 HD23 ' A' ' 15' ' ' LEU . 61.1 mt -60.05 -30.64 69.33 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.718 -0.614 . . . . 0.0 109.531 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.48 63.4 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.757 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.44 -39.11 74.53 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.484 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.7 ptp -65.78 -22.46 66.57 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.737 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -55.63 106.41 0.25 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.703 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.605 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -94.47 -39.14 10.58 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.462 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.741 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.1 pt -106.2 170.57 2.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-O 121.524 0.678 . . . . 0.0 109.84 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.5 m -101.0 150.11 23.23 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.539 HD11 ' HG2' ' A' ' 33' ' ' ARG . 22.3 tp -64.42 -30.06 71.11 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -68.08 -37.61 81.42 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.023 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -66.71 -25.8 66.71 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.055 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 24' ' ' ILE . 34.2 m -114.86 54.17 0.79 Allowed 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.502 -0.749 . . . . 0.0 109.891 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 55.9 mt -82.43 0.74 40.77 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.157 -0.964 . . . . 0.0 110.393 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -82.8 -30.04 29.12 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.301 -0.874 . . . . 0.0 108.981 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.7 ' O ' HG21 ' A' ' 142' ' ' VAL . 63.7 m-20 -105.88 10.82 32.37 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.75 -0.594 . . . . 0.0 109.828 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HG2' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.9 109.91 5.32 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.239 -0.913 . . . . 0.0 109.693 -179.153 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -149.09 135.51 19.36 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.24 124.41 27.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.39 -0.819 . . . . 0.0 108.894 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 72.4 m-85 -73.24 -50.44 22.37 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.523 -0.736 . . . . 0.0 109.643 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.9 66.87 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 87.2 t80 -71.38 131.47 86.59 Favored Pre-proline 0 C--O 1.216 -0.659 0 O-C-N 121.638 -0.919 . . . . 0.0 108.999 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.0 Cg_endo -79.48 67.05 8.72 Favored 'Trans proline' 0 C--N 1.351 0.708 0 O-C-N 123.732 1.385 . . . . 0.0 111.04 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.667 ' HG3' HD22 ' A' ' 153' ' ' LEU . 3.0 tm0? -75.1 -14.62 60.59 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.338 -0.851 . . . . 0.0 109.097 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -61.26 -30.64 70.58 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.26 -0.9 . . . . 0.0 108.783 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -95.55 26.93 3.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 9.1 m-85 . . . . . 0 C--O 1.218 -0.596 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.475 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 14.6 t . . . . . 0 C--O 1.214 -0.768 0 CA-C-O 120.796 0.331 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.618 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 45.1 mt -57.53 -45.02 99.89 Favored Pre-proline 0 C--O 1.215 -0.763 0 O-C-N 121.038 -1.039 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -64.67 -28.71 60.45 Favored 'Trans proline' 0 C--N 1.357 0.989 0 O-C-N 123.106 1.056 . . . . 0.0 110.635 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.673 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.9 t -76.25 -37.96 32.85 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.837 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 40.9 mt -67.83 -31.3 71.05 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CD2' HD23 ' A' ' 92' ' ' LEU . 61.2 t-80 -69.48 -47.86 62.55 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.447 -0.783 . . . . 0.0 109.672 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.867 ' HG3' HD13 ' A' ' 116' ' ' ILE . 80.8 mm-40 -73.08 -31.5 64.42 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.5 -0.75 . . . . 0.0 110.299 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.441 ' CG ' HG11 ' A' ' 119' ' ' VAL . 8.0 ttt -71.66 -41.78 68.3 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.199 -0.938 . . . . 0.0 109.063 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.675 HG23 HD22 ' A' ' 88' ' ' LEU . 3.5 mt -70.01 -27.11 31.45 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 O-C-N 121.421 -0.799 . . . . 0.0 108.9 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.68 -38.36 70.62 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -67.11 -37.62 84.23 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.5 -0.75 . . . . 0.0 109.38 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.529 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.8 mt -72.81 -30.78 34.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.475 ' HA ' HD13 ' A' ' 88' ' ' LEU . 15.4 t80 -62.17 -48.46 79.99 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 121.459 -0.775 . . . . 0.0 109.433 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.799 ' O ' HG23 ' A' ' 69' ' ' THR . 20.5 t-20 -76.71 -37.11 56.64 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.502 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 130' ' ' LEU . 44.5 tp -57.94 -33.35 68.72 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.526 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 63' ' ' ILE . 17.9 m-85 -97.18 -24.05 15.91 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 110.047 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 13.2 t -77.67 -17.5 57.62 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.799 HG23 ' O ' ' A' ' 65' ' ' ASN . 30.0 p -55.97 150.41 13.56 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.228 -0.92 . . . . 0.0 110.213 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.8 -25.49 67.52 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 109.99 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.406 ' HB2' ' CG ' ' A' ' 135' ' ' TYR . 1.0 OUTLIER -76.99 -32.89 57.55 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.44 -0.788 . . . . 0.0 110.063 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.486 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 23.7 t -86.19 -32.59 21.13 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.255 -0.903 . . . . 0.0 109.705 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 26.5 t -64.62 -36.44 84.27 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.584 -0.697 . . . . 0.0 109.258 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -24.43 33.04 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.48 72.28 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.46 -0.775 . . . . 0.0 109.999 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.605 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 78.9 m95 -118.47 176.16 5.38 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.636 -0.665 . . . . 0.0 109.897 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 133.93 49.16 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -67.92 -28.13 67.23 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.352 -0.843 . . . . 0.0 110.564 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.1 m -78.12 -44.33 26.39 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.059 -1.025 . . . . 0.0 109.001 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.9 -38.5 91.2 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 81' ' ' LEU . 11.3 mt -71.45 -33.21 69.17 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -49.16 74.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -64.95 -34.59 78.77 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 88' ' ' LEU . 12.7 t80 -64.1 -32.29 73.8 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.786 -0.571 . . . . 0.0 109.659 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -76.63 -35.37 58.08 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.042 -1.036 . . . . 0.0 109.597 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.9 m -69.24 -39.93 78.2 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.453 -0.78 . . . . 0.0 109.868 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.416 ' OE2' HD11 ' A' ' 17' ' ' LEU . 19.8 mt-10 -73.41 -34.04 65.28 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.275 -0.891 . . . . 0.0 109.823 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.675 HD22 HG23 ' A' ' 60' ' ' ILE . 81.8 mt -69.49 -38.72 77.77 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.378 -0.826 . . . . 0.0 109.372 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.6 -38.04 59.36 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.55 -0.719 . . . . 0.0 110.527 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -68.71 -45.95 70.23 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.187 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -66.7 -26.22 66.92 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.551 -0.718 . . . . 0.0 109.192 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.41 HD23 ' CD2' ' A' ' 57' ' ' HIS . 6.5 mt -70.17 -47.11 63.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.367 -0.833 . . . . 0.0 109.452 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.56 -32.7 74.45 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.507 -0.745 . . . . 0.0 109.967 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.83 61.99 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.261 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 53' ' ' ILE . 31.5 mt . . . . . 0 C--O 1.217 -0.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 C--O 1.215 -0.734 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.4 ' HB2' HG11 ' A' ' 55' ' ' VAL . 1.4 p -64.13 -43.75 94.29 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.867 HD13 ' HG3' ' A' ' 58' ' ' GLU . 76.3 mt -66.2 -33.08 61.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 117' ' ' LEU . 27.2 mt -66.31 -34.52 78.18 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.686 -0.634 . . . . 0.0 109.555 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.555 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.95 -48.65 73.31 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.441 HG11 ' CG ' ' A' ' 59' ' ' MET . 91.3 t -63.27 -27.24 42.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.4 -43.0 95.78 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.464 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -69.23 -34.14 74.37 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.434 -0.791 . . . . 0.0 109.453 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.662 ' CE2' HD11 ' A' ' 126' ' ' ILE . 67.4 t80 -63.55 -50.89 67.74 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.487 -0.758 . . . . 0.0 109.686 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.47 -20.73 61.33 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.635 -0.666 . . . . 0.0 110.411 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -40.43 81.93 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 21.1 tpt180 -68.68 -39.06 80.74 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.662 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.4 mt -61.74 -39.51 83.58 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.628 -0.67 . . . . 0.0 109.616 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -66.98 -36.29 81.85 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.6 tt -68.73 -38.55 80.27 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 121.45 -0.781 . . . . 0.0 109.291 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.479 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -63.02 -35.33 79.86 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.543 -0.723 . . . . 0.0 109.694 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 66' ' ' LEU . 79.1 mt -72.41 -38.78 68.3 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.569 -0.707 . . . . 0.0 109.676 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.82 -21.06 55.63 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.098 -1.001 . . . . 0.0 109.686 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 13.7 tt0 -77.62 -49.08 15.3 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 108.991 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.606 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 1.3 mptm? -83.22 4.49 26.61 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 58.82 41.0 22.25 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.357 -0.84 . . . . 0.0 110.173 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 32.6 m-85 59.74 49.59 7.97 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.527 -0.733 . . . . 0.0 109.973 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.419 ' HB2' ' HB3' ' A' ' 133' ' ' LYS . 11.0 m -81.54 160.96 63.32 Favored Pre-proline 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.222 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.62 ' O ' HD11 ' A' ' 24' ' ' ILE . 41.6 Cg_endo -69.15 -32.62 20.73 Favored 'Trans proline' 0 C--O 1.216 -0.616 0 O-C-N 123.881 1.464 . . . . 0.0 110.915 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 3.7 m -71.19 -45.87 62.49 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.545 -0.722 . . . . 0.0 109.377 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.41 -36.05 81.14 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.429 -0.794 . . . . 0.0 108.939 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.509 ' CE2' HD22 ' A' ' 130' ' ' LEU . 17.9 m95 -70.12 -36.71 75.01 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.547 -0.721 . . . . 0.0 109.989 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -64.2 -40.26 95.7 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.375 -0.828 . . . . 0.0 109.404 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.7 HG21 ' O ' ' A' ' 32' ' ' ASP . 96.1 t -65.46 -42.06 92.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 147' ' ' ILE . 99.2 t -71.05 -22.04 22.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 O-C-N 121.706 -0.621 . . . . 0.0 109.374 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.18 60.34 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.136 -0.977 . . . . 0.0 108.697 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.34 73.79 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.872 -0.518 . . . . 0.0 109.66 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.449 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 32.3 mm-40 -69.38 -35.28 75.66 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.649 -0.657 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.8 mm -74.2 -33.03 33.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 121.31 -0.869 . . . . 0.0 109.451 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.3 ttm -70.62 -37.58 73.85 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.469 -0.77 . . . . 0.0 109.018 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -72.19 -47.81 47.9 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.584 -0.697 . . . . 0.0 109.673 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 60.6 p -61.22 -42.43 98.59 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.69 -0.631 . . . . 0.0 110.176 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.882 ' HB3' HD21 ' A' ' 15' ' ' LEU . 48.7 t80 -65.49 -39.01 91.42 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.423 -0.798 . . . . 0.0 109.428 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.2 t -67.74 -36.0 79.76 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.488 -0.757 . . . . 0.0 109.39 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.667 HD22 ' HG3' ' A' ' 40' ' ' GLN . 53.1 mt -65.44 -39.62 92.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.532 -0.73 . . . . 0.0 109.811 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.611 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 51.4 m -73.0 -30.72 63.99 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.611 -0.681 . . . . 0.0 110.623 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.522 HG21 ' HB2' ' A' ' 11' ' ' SER . 73.5 p -94.38 -7.25 42.18 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.265 -0.897 . . . . 0.0 111.035 -178.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 . . . . . 0 C--O 1.216 -0.66 0 O-C-N 120.846 -1.159 . . . . 0.0 110.235 178.756 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.867 ' HB3' HG21 ' A' ' 155' ' ' THR . 47.6 m . . . . . 0 C--O 1.216 -0.695 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 24.4 tpt180 -66.88 -35.12 79.29 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.377 -0.827 . . . . 0.0 109.413 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -66.25 -37.23 85.02 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.41 -0.807 . . . . 0.0 108.837 178.386 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.6 m -63.21 -41.31 99.13 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 151' ' ' PHE . 65.0 mt -69.2 -32.66 72.1 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.752 -0.593 . . . . 0.0 109.625 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.9 -36.23 82.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 84' ' ' PHE . 68.0 mt -61.47 -45.92 92.22 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.745 HD12 HD23 ' A' ' 15' ' ' LEU . 57.6 mt -56.3 -41.7 76.35 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.872 -0.517 . . . . 0.0 109.847 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.21 -44.34 95.22 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.601 -0.687 . . . . 0.0 109.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -70.82 -23.08 62.29 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.413 -0.804 . . . . 0.0 110.125 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.538 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 2.0 mtm -74.68 -11.36 60.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 121.265 -0.897 . . . . 0.0 111.172 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -70.46 111.86 6.32 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.624 -1.297 . . . . 0.0 109.496 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' A' ' 21' ' ' MET . 5.0 mptp? -92.23 -37.31 12.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.603 -0.686 . . . . 0.0 109.327 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.867 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.4 pt -108.7 170.8 2.68 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.02 146.66 27.14 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.467 -0.77 . . . . 0.0 108.936 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.01 -31.15 72.23 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 74.7 m-85 -68.01 -38.06 82.17 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 176.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.5 m -66.21 -28.78 69.01 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.867 ' SG ' HD12 ' A' ' 24' ' ' ILE . 12.3 m -112.95 56.26 0.68 Allowed 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.549 -0.719 . . . . 0.0 109.896 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 69.7 mt -83.78 3.65 32.52 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 120.871 -1.143 . . . . 0.0 110.413 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -86.95 -12.96 46.03 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.158 -0.964 . . . . 0.0 109.678 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.678 ' O ' HG21 ' A' ' 142' ' ' VAL . 7.2 t70 -111.02 24.39 12.97 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.366 -0.834 . . . . 0.0 109.932 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.529 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 60.9 mtm-85 -67.66 101.28 1.01 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 120.674 -1.266 . . . . 0.0 109.846 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -143.86 118.95 10.07 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.514 -0.741 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -79.45 132.85 36.48 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 80.4 m-85 -86.49 -49.76 7.35 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.02 76.57 1.04 Allowed Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 80.4 t80 -72.91 134.48 81.18 Favored Pre-proline 0 C--O 1.216 -0.677 0 O-C-N 121.468 -1.019 . . . . 0.0 108.826 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 53.2 Cg_endo -81.33 75.82 4.75 Favored 'Trans proline' 0 C--N 1.351 0.675 0 O-C-N 123.648 1.341 . . . . 0.0 110.897 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.801 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -78.55 -13.06 60.01 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.165 -0.96 . . . . 0.0 109.363 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.08 -28.5 69.12 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -85.46 8.24 19.81 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.748 -0.595 . . . . 0.0 109.788 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 57.1 m-85 . . . . . 0 C--O 1.218 -0.579 0 O-C-N 121.251 -0.905 . . . . 0.0 108.795 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.561 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 16.7 p . . . . . 0 C--O 1.206 -1.212 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.79 HG23 HD23 ' A' ' 95' ' ' LEU . 13.4 mt -45.26 -46.61 32.73 Favored Pre-proline 0 N--CA 1.476 0.846 0 O-C-N 121.068 -1.02 . . . . 0.0 111.117 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.7 Cg_endo -67.1 -36.64 21.2 Favored 'Trans proline' 0 C--N 1.354 0.824 0 O-C-N 123.114 1.06 . . . . 0.0 110.646 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.763 ' HA ' HG12 ' A' ' 116' ' ' ILE . 20.9 t -71.25 -39.08 72.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.484 -0.76 . . . . 0.0 109.187 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.572 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 25.9 mt -68.09 -33.68 74.98 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' HD23 ' A' ' 92' ' ' LEU . 62.9 t-80 -62.66 -46.43 88.24 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.811 ' HG3' HD13 ' A' ' 116' ' ' ILE . 58.1 mm-40 -71.29 -29.68 65.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.517 -0.74 . . . . 0.0 109.309 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.5 tpp -64.66 -36.95 85.93 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.788 HG21 ' HG ' ' A' ' 92' ' ' LEU . 4.6 mm -71.1 -33.79 52.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -69.43 -35.56 75.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.561 -0.712 . . . . 0.0 109.579 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -71.59 -40.27 69.98 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.442 -0.786 . . . . 0.0 109.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.587 HG23 ' CE1' ' A' ' 67' ' ' PHE . 78.0 mt -76.6 -27.31 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.006 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 88' ' ' LEU . 41.3 t80 -68.08 -43.03 79.5 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.232 -0.918 . . . . 0.0 109.22 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 69' ' ' THR . 47.2 t30 -80.28 -38.51 30.67 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.635 -0.665 . . . . 0.0 109.895 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.63 -31.07 69.17 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.491 -0.756 . . . . 0.0 109.417 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.587 ' CE1' HG23 ' A' ' 63' ' ' ILE . 8.0 m-85 -95.8 -27.85 15.03 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.578 -0.701 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.459 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.2 t -72.59 -18.97 61.56 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.336 -0.853 . . . . 0.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 65' ' ' ASN . 34.2 p -54.65 151.75 7.76 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.21 -0.931 . . . . 0.0 109.967 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.39 -21.55 66.35 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 109.721 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.3 m-20 -77.27 -43.98 31.43 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.33 -0.856 . . . . 0.0 109.687 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.503 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.4 t -78.27 -29.61 48.09 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.506 -0.746 . . . . 0.0 109.969 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 92.5 p -65.4 -37.97 88.57 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.465 -0.772 . . . . 0.0 109.22 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.34 -21.49 35.97 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.97 67.94 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.121 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.42 ' CE3' ' O ' ' A' ' 21' ' ' MET . 68.5 m95 -119.03 172.68 7.38 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.657 -0.652 . . . . 0.0 109.671 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.66 137.63 52.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.344 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 15.9 pt-20 -66.99 -27.8 67.73 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.661 -0.649 . . . . 0.0 110.176 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.1 m -78.0 -45.19 24.43 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.183 -0.948 . . . . 0.0 108.872 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 80' ' ' LEU . 72.2 mt -63.57 -38.09 89.81 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.77 -33.26 70.59 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 10.6 t70 -55.82 -52.56 63.57 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 83' ' ' LYS . 29.7 mmtp -67.03 -30.57 70.69 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.542 ' HA ' HD13 ' A' ' 17' ' ' LEU . 20.9 t80 -66.66 -29.65 69.72 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.559 -0.713 . . . . 0.0 109.322 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.9 -33.66 51.77 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.267 -0.895 . . . . 0.0 108.909 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.8 m -69.71 -35.41 75.03 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.503 ' HG3' HD11 ' A' ' 17' ' ' LEU . 29.7 mm-40 -74.24 -32.8 63.12 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.455 -0.778 . . . . 0.0 109.291 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 64' ' ' PHE . 46.8 mt -70.36 -40.38 74.06 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.489 -0.757 . . . . 0.0 109.173 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.528 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.6 t80 -76.09 -29.39 57.9 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.223 -0.923 . . . . 0.0 109.671 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -67.48 -47.87 68.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -66.78 -28.55 68.48 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.788 ' HG ' HG21 ' A' ' 60' ' ' ILE . 11.0 mt -71.77 -31.29 66.48 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.465 -0.772 . . . . 0.0 109.508 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -72.32 -42.1 65.82 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.449 -0.782 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -69.77 -45.74 67.36 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.395 -0.815 . . . . 0.0 109.059 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.79 HD23 HG23 ' A' ' 53' ' ' ILE . 67.7 mt . . . . . 0 C--O 1.217 -0.627 0 O-C-N 121.936 -0.478 . . . . 0.0 110.211 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.217 -0.637 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.762 ' HB3' HG21 ' A' ' 55' ' ' VAL . 23.2 t -73.43 -39.24 65.17 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.811 HD13 ' HG3' ' A' ' 58' ' ' GLU . 70.2 mt -64.36 -34.28 68.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 117' ' ' LEU . 5.9 mt -65.19 -35.56 81.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.521 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -68.16 -44.36 76.16 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.85 -23.66 31.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.78 -46.55 62.68 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.43 64.45 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.524 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 54.5 t80 -68.76 -49.69 56.62 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.467 -0.771 . . . . 0.0 109.061 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -70.25 -26.86 64.03 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.794 -0.566 . . . . 0.0 109.961 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -63.87 -42.23 97.56 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.4 -39.67 94.3 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.588 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 61.7 mt -62.97 -36.88 77.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.593 -0.692 . . . . 0.0 109.586 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.4 m -68.44 -41.28 80.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.432 -0.793 . . . . 0.0 109.967 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 128' ' ' LEU . 4.1 mm? -69.96 -34.15 73.02 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.446 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 22.0 t80 -65.22 -42.25 93.63 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.44 -0.788 . . . . 0.0 108.893 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 27.6 mt -63.31 -35.56 80.77 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -34.87 77.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.41 -0.806 . . . . 0.0 109.359 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.59 -52.9 48.63 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.623 -0.673 . . . . 0.0 109.736 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.5 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.5 mptt -79.3 1.47 24.89 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.765 -0.584 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 56.53 46.31 20.77 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.393 -0.817 . . . . 0.0 109.799 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.418 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 78.7 m-85 58.38 52.79 6.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.766 -0.584 . . . . 0.0 110.412 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.47 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.0 m -80.43 162.82 59.63 Favored Pre-proline 0 C--O 1.217 -0.644 0 O-C-N 121.309 -0.87 . . . . 0.0 109.378 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -69.86 -41.74 3.89 Favored 'Trans proline' 0 C--N 1.351 0.668 0 O-C-N 123.802 1.422 . . . . 0.0 111.114 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.79 -42.11 91.14 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.613 -0.679 . . . . 0.0 109.346 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.64 -37.02 85.39 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.561 -0.712 . . . . 0.0 109.625 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 10.2 m95 -66.49 -34.8 78.74 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.518 -0.739 . . . . 0.0 110.429 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.18 -37.93 66.35 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.678 HG21 ' O ' ' A' ' 32' ' ' ASP . 48.4 t -60.78 -38.64 79.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.8 t -73.6 -30.06 28.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.469 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 3.0 tmt_? -60.71 -52.09 66.59 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.132 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.01 85.96 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.42 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 4.8 mm-40 -70.42 -29.28 65.85 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.775 -0.578 . . . . 0.0 110.379 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.5 mm -77.2 -30.95 17.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 O-C-N 121.306 -0.872 . . . . 0.0 109.102 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.517 ' HG3' HD22 ' A' ' 15' ' ' LEU . 23.7 ttm -73.83 -39.56 63.95 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.482 -0.761 . . . . 0.0 109.056 178.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' A' ' 149' ' ' ARG . 12.8 mmt180 -72.71 -40.69 65.96 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 121.511 -0.743 . . . . 0.0 109.624 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.606 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.0 p -66.75 -38.49 86.73 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.439 -0.788 . . . . 0.0 109.628 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.908 ' HB3' HD21 ' A' ' 15' ' ' LEU . 56.4 t80 -72.29 -40.38 67.6 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.499 -0.751 . . . . 0.0 109.552 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 92.1 p -65.84 -34.56 78.44 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.276 -0.89 . . . . 0.0 108.691 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.801 HD22 ' HG3' ' A' ' 40' ' ' GLN . 68.6 mt -68.58 -37.15 79.62 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.694 -0.629 . . . . 0.0 109.454 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 28.2 p -66.45 -36.6 83.19 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.476 -0.765 . . . . 0.0 109.409 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.867 HG21 ' HB3' ' A' ' 11' ' ' SER . 18.2 p -97.12 1.29 49.77 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.847 -0.533 . . . . 0.0 110.54 -176.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.215 -0.724 0 O-C-N 121.156 -0.965 . . . . 0.0 110.52 179.293 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.217 -0.654 0 CA-C-O 120.985 0.421 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -62.5 -39.76 94.54 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 49.7 mmm-85 -69.47 -33.69 73.28 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.691 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -63.23 -43.32 98.41 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.42 -0.8 . . . . 0.0 108.98 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.969 HD21 ' HB3' ' A' ' 151' ' ' PHE . 98.1 mt -68.38 -30.92 69.97 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.7 ttp -65.49 -36.89 85.2 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.935 HD11 ' HG3' ' A' ' 87' ' ' GLU . 81.6 mt -62.85 -44.4 96.23 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 15' ' ' LEU . 34.4 mt -59.29 -40.78 87.23 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.822 -0.549 . . . . 0.0 109.712 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.21 97.37 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.475 -0.766 . . . . 0.0 109.743 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.84 -33.08 73.22 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.439 -0.788 . . . . 0.0 109.957 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.488 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 21.6 mtp -66.19 -23.43 66.45 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.434 -0.791 . . . . 0.0 110.963 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -49.68 128.0 16.98 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HE3' ' CZ3' ' A' ' 76' ' ' TRP . 2.4 mtmp? -109.35 -28.44 8.96 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.856 -0.527 . . . . 0.0 109.882 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.823 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pt -129.42 171.7 16.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 121.467 -0.771 . . . . 0.0 109.929 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -86.18 137.63 32.5 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.554 -0.717 . . . . 0.0 109.077 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.84 -32.92 74.84 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.636 -0.665 . . . . 0.0 109.378 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -63.28 -37.73 88.38 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.8 m -65.86 -29.46 69.91 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.823 ' SG ' HD12 ' A' ' 24' ' ' ILE . 67.2 m -105.15 47.39 0.88 Allowed 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.451 -0.781 . . . . 0.0 110.301 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 mt -85.13 -2.4 57.97 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.152 -0.967 . . . . 0.0 110.031 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -81.83 -30.67 32.04 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.416 -0.802 . . . . 0.0 108.982 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.658 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.2 m-20 -108.14 23.08 15.04 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.614 -0.678 . . . . 0.0 109.93 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -82.82 114.63 21.27 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.952 -1.092 . . . . 0.0 109.207 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -145.13 127.47 15.86 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -74.1 136.19 42.97 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.324 -0.86 . . . . 0.0 109.182 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 59.8 m-85 -87.11 -41.66 13.63 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.559 -0.713 . . . . 0.0 109.771 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.17 71.15 0.62 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 89.9 t80 -67.23 132.76 93.4 Favored Pre-proline 0 C--O 1.217 -0.625 0 O-C-N 121.54 -0.977 . . . . 0.0 108.932 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.3 Cg_endo -81.88 68.28 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 O-C-N 123.653 1.343 . . . . 0.0 111.291 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 5.2 tp60 -73.11 -20.02 61.03 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.233 -0.917 . . . . 0.0 108.796 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.54 -30.03 69.5 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.286 -0.884 . . . . 0.0 108.856 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -88.89 11.21 18.65 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.548 -0.72 . . . . 0.0 109.439 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 12.4 m-85 . . . . . 0 C--O 1.215 -0.712 0 O-C-N 121.416 -0.802 . . . . 0.0 109.109 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.518 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.3 p . . . . . 0 C--O 1.211 -0.973 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.58 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 58.7 mt -45.42 -46.17 33.6 Favored Pre-proline 0 C--O 1.213 -0.846 0 O-C-N 121.479 -0.763 . . . . 0.0 111.68 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.0 Cg_endo -65.27 -39.37 23.16 Favored 'Trans proline' 0 C--N 1.355 0.918 0 O-C-N 123.017 1.009 . . . . 0.0 110.985 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.733 ' HA ' HG12 ' A' ' 116' ' ' ILE . 16.1 t -69.78 -37.76 74.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 20.3 mt -65.55 -34.54 78.49 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 92' ' ' LEU . 45.2 t-80 -60.18 -46.54 89.37 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' CG ' HG23 ' A' ' 116' ' ' ILE . 3.8 tm-20 -69.28 -30.62 68.76 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.461 -0.775 . . . . 0.0 109.07 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 tpp -63.2 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.465 -0.772 . . . . 0.0 109.126 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.629 HG21 ' HG ' ' A' ' 92' ' ' LEU . 8.0 mm -73.8 -30.31 28.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 O-C-N 121.321 -0.862 . . . . 0.0 109.227 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -73.12 -32.07 64.7 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.469 -0.769 . . . . 0.0 109.447 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.438 ' HB3' ' CD2' ' A' ' 123' ' ' PHE . 30.8 mm-40 -76.02 -40.54 53.34 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.376 -0.827 . . . . 0.0 109.678 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.596 HG23 ' CE1' ' A' ' 67' ' ' PHE . 83.8 mt -75.24 -29.61 21.8 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 121.316 -0.865 . . . . 0.0 108.779 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' HA ' HD13 ' A' ' 88' ' ' LEU . 28.8 t80 -65.22 -44.59 87.81 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.311 -0.868 . . . . 0.0 109.365 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.656 ' O ' HG23 ' A' ' 69' ' ' THR . 56.2 t30 -79.87 -38.75 32.02 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.469 -0.77 . . . . 0.0 110.053 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 130' ' ' LEU . 34.5 tp -59.2 -31.34 68.94 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.394 -0.816 . . . . 0.0 109.379 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.596 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.2 m-85 -95.62 -27.09 15.49 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.574 -0.704 . . . . 0.0 109.945 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -75.18 -22.59 57.93 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.282 -0.886 . . . . 0.0 110.39 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 65' ' ' ASN . 14.4 p -51.38 148.87 4.54 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.394 -0.817 . . . . 0.0 110.263 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.56 -26.69 67.1 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.597 -0.689 . . . . 0.0 109.805 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.4 p30 -74.81 -32.59 62.03 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.45 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 20.8 t -90.76 -29.44 17.64 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.298 -0.876 . . . . 0.0 109.752 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.515 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 38.3 t -66.87 -37.03 83.66 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.76 34.69 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.08 86.08 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.568 -0.707 . . . . 0.0 109.805 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.473 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 82.4 m95 -107.77 171.99 7.08 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.359 0.599 . . . . 0.0 109.767 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.503 ' OD2' HD12 ' A' ' 80' ' ' LEU . 37.5 m-20 -68.4 130.84 44.06 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.3 pp20? -63.33 -26.9 68.98 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.404 -0.81 . . . . 0.0 110.482 -178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.8 m -77.93 -45.01 25.18 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.059 -1.025 . . . . 0.0 108.869 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.503 HD12 ' OD2' ' A' ' 77' ' ' ASP . 84.9 mt -63.19 -38.41 91.05 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.515 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.8 mt -71.41 -33.14 69.19 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 8.9 t70 -55.56 -48.51 74.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.71 -33.42 74.86 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.814 ' HA ' HD13 ' A' ' 17' ' ' LEU . 25.3 t80 -67.18 -27.54 67.36 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.658 -0.651 . . . . 0.0 109.694 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -78.41 -43.83 26.43 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.125 -0.984 . . . . 0.0 109.156 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.2 m -64.3 -37.74 88.55 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.8 -0.563 . . . . 0.0 109.565 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.935 ' HG3' HD11 ' A' ' 17' ' ' LEU . 48.0 mm-40 -72.22 -36.83 69.25 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 121.484 -0.76 . . . . 0.0 109.41 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 84' ' ' PHE . 47.3 mt -66.23 -37.03 84.57 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.55 -0.719 . . . . 0.0 109.766 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.29 -39.52 59.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.342 -0.849 . . . . 0.0 109.993 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.78 -48.4 69.13 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.364 -0.835 . . . . 0.0 109.563 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.64 -28.25 69.49 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.504 -0.748 . . . . 0.0 109.066 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.629 ' HG ' HG21 ' A' ' 60' ' ' ILE . 2.0 mt -67.14 -43.77 81.49 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.406 -0.809 . . . . 0.0 108.975 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -60.78 -36.82 79.95 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -66.96 -41.23 87.26 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.558 -0.714 . . . . 0.0 109.274 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.218 -0.581 0 O-C-N 121.737 -0.602 . . . . 0.0 110.264 -179.635 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--O 1.215 -0.727 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.497 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 19.5 t -66.54 -40.03 88.86 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.733 HG12 ' HA ' ' A' ' 55' ' ' VAL . 53.2 mt -68.72 -31.22 49.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.23 -33.78 75.02 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.548 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.85 -48.69 73.4 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.76 -30.85 51.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -68.1 -40.23 82.66 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.246 -0.909 . . . . 0.0 109.697 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -68.47 -35.99 78.34 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.408 -0.808 . . . . 0.0 108.925 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 126' ' ' ILE . 83.0 t80 -63.85 -47.24 81.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 62' ' ' GLN . 13.1 m-85 -70.46 -26.01 63.44 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.754 -0.591 . . . . 0.0 110.107 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -64.28 -41.34 96.95 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -67.63 -38.36 83.76 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.787 HD11 ' CE2' ' A' ' 122' ' ' TYR . 57.8 mt -62.27 -38.04 80.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.525 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.452 HG22 ' HE2' ' A' ' 131' ' ' LYS . 23.1 m -67.32 -41.28 85.56 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.405 -0.809 . . . . 0.0 109.666 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.2 mm? -67.95 -36.21 79.72 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.425 -0.797 . . . . 0.0 109.579 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -63.24 -38.86 92.83 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.498 -0.751 . . . . 0.0 109.342 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 135' ' ' TYR . 64.0 mt -67.28 -42.43 83.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.759 -0.588 . . . . 0.0 109.478 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.46 ' HE3' HD13 ' A' ' 128' ' ' LEU . 56.0 mtmt -70.57 -24.02 62.7 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.802 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.01 -49.17 25.57 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.487 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 13.4 mptt -80.67 1.86 28.28 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.574 -0.704 . . . . 0.0 109.796 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp 60.73 40.02 16.71 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.384 -0.823 . . . . 0.0 109.924 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' A' ' 130' ' ' LEU . 67.2 m-85 58.83 51.66 7.29 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.703 -0.623 . . . . 0.0 110.43 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.437 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 38.2 m -79.21 160.6 70.4 Favored Pre-proline 0 C--O 1.217 -0.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.254 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.8 -36.15 14.4 Favored 'Trans proline' 0 C--N 1.35 0.638 0 O-C-N 123.744 1.392 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.42 -41.99 75.61 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.475 -0.766 . . . . 0.0 109.145 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.53 -36.45 83.85 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.583 -0.698 . . . . 0.0 109.63 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.45 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.0 m95 -68.95 -39.3 79.6 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 110.055 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.7 -36.53 82.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 109.145 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.658 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.4 t -62.67 -42.82 97.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 139' ' ' ALA . 96.7 t -72.36 -24.2 21.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 121.722 -0.611 . . . . 0.0 109.763 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.472 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 0.2 OUTLIER -69.99 -47.01 63.92 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.091 -1.006 . . . . 0.0 108.888 179.405 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.11 79.74 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.455 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 56.5 mm-40 -66.52 -37.16 84.42 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.635 -0.665 . . . . 0.0 109.409 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 mm -69.42 -36.95 74.15 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.597 ' CG ' HD22 ' A' ' 15' ' ' LEU . 25.7 ttm -63.89 -49.68 71.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.503 -0.748 . . . . 0.0 109.882 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.61 -44.4 90.69 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.686 -0.634 . . . . 0.0 110.21 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.504 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 64.8 m -65.37 -30.83 71.7 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.969 ' HB3' HD21 ' A' ' 15' ' ' LEU . 34.2 t80 -71.64 -42.57 67.41 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.567 -0.708 . . . . 0.0 109.579 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.8 t -65.96 -35.88 81.8 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.538 -0.726 . . . . 0.0 109.234 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 62.7 mt -65.62 -48.49 72.05 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.646 -0.659 . . . . 0.0 110.046 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 12.4 m -63.86 -45.21 90.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.615 -0.678 . . . . 0.0 110.147 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.429 HG21 ' CE2' ' A' ' 151' ' ' PHE . 67.8 p -78.12 -7.97 57.66 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.447 -0.783 . . . . 0.0 110.875 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.0 t30 . . . . . 0 CA--C 1.542 0.65 0 O-C-N 120.892 -1.13 . . . . 0.0 110.484 179.793 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.769 ' HB3' HG21 ' A' ' 155' ' ' THR . 66.0 m . . . . . 0 C--O 1.216 -0.679 0 CA-C-O 120.847 0.356 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -48.03 77.91 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.373 -0.829 . . . . 0.0 110.07 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.18 -30.19 66.11 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.303 -0.873 . . . . 0.0 110.061 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.541 ' CG2' ' HE1' ' A' ' 84' ' ' PHE . 88.8 m -61.58 -43.56 98.64 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.208 -0.933 . . . . 0.0 109.154 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 151' ' ' PHE . 34.4 mt -70.98 -32.2 68.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 ttp -63.59 -35.39 80.36 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.992 HD13 ' HA ' ' A' ' 84' ' ' PHE . 45.6 mt -63.67 -46.66 84.59 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD12 HD23 ' A' ' 15' ' ' LEU . 65.5 mt -57.48 -35.33 70.05 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.869 -0.519 . . . . 0.0 109.78 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.85 88.18 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.826 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.17 -34.91 73.58 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.477 -0.764 . . . . 0.0 109.832 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.493 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 16.0 mtm -66.1 -27.86 68.38 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.417 -0.802 . . . . 0.0 110.097 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -47.48 122.69 4.95 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.576 -0.703 . . . . 0.0 109.919 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 11.9 mtpt -106.69 -33.18 7.69 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.923 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -128.43 171.41 16.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.648 -0.657 . . . . 0.0 110.055 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -92.56 151.85 19.93 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.673 -0.642 . . . . 0.0 109.588 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.43 -31.69 72.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -68.04 -38.4 82.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.456 -0.778 . . . . 0.0 109.093 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.5 m -66.91 -29.14 68.95 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.487 -0.758 . . . . 0.0 109.12 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.923 ' SG ' HD12 ' A' ' 24' ' ' ILE . 32.0 m -108.88 51.2 0.75 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.56 -0.713 . . . . 0.0 110.057 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.7 mt -82.0 -0.91 46.33 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.119 -0.988 . . . . 0.0 110.231 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.43 -27.13 34.84 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.282 -0.886 . . . . 0.0 109.063 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.762 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.4 m-20 -104.0 21.19 16.84 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 109.434 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -78.2 123.12 26.55 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.117 -0.989 . . . . 0.0 110.075 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 123.12 5.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.8 121.08 16.55 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.433 -0.792 . . . . 0.0 109.471 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.546 ' HE2' ' HB2' ' A' ' 129' ' ' TYR . 77.3 m-85 -75.93 -52.6 9.94 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.649 -0.657 . . . . 0.0 109.498 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.88 66.3 0.34 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.516 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 68.9 t80 -66.29 127.67 93.4 Favored Pre-proline 0 C--O 1.215 -0.717 0 O-C-N 121.519 -0.989 . . . . 0.0 108.782 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.687 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 54.3 Cg_endo -79.58 71.53 6.99 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.748 1.394 . . . . 0.0 111.108 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.543 ' OE1' HD22 ' A' ' 153' ' ' LEU . 7.4 tt0 -75.06 -15.29 60.63 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.304 -0.872 . . . . 0.0 109.308 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.59 -31.32 69.35 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.289 -0.882 . . . . 0.0 108.793 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 2.4 tp10 -93.29 24.14 4.04 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.488 -0.758 . . . . 0.0 109.352 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 26.6 m-85 . . . . . 0 CA--C 1.543 0.677 0 O-C-N 121.181 -0.95 . . . . 0.0 109.59 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.498 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 38.2 p . . . . . 0 C--O 1.209 -1.055 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.595 HG23 HD23 ' A' ' 95' ' ' LEU . 76.9 mt -47.78 -48.39 60.68 Favored Pre-proline 0 C--O 1.216 -0.684 0 O-C-N 121.364 -0.835 . . . . 0.0 111.22 -178.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -65.24 -35.52 40.59 Favored 'Trans proline' 0 C--N 1.353 0.801 0 O-C-N 123.247 1.13 . . . . 0.0 110.696 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.765 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.9 t -69.96 -38.57 75.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.617 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 86.1 mt -69.26 -29.85 67.84 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -67.48 -45.33 76.21 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.458 -0.776 . . . . 0.0 109.122 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.667 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.1 tm-20 -74.45 -29.8 61.61 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.193 -0.942 . . . . 0.0 109.73 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -66.4 -45.93 78.31 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.277 -0.889 . . . . 0.0 109.159 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.69 HG23 HD22 ' A' ' 88' ' ' LEU . 26.9 mt -71.01 -24.22 24.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 121.616 -0.677 . . . . 0.0 109.325 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -72.87 -35.14 67.11 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.08 -39.28 75.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.715 -0.616 . . . . 0.0 109.461 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 67' ' ' PHE . 73.5 mt -71.67 -34.34 51.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' HA ' HD13 ' A' ' 88' ' ' LEU . 46.1 t80 -59.71 -44.07 93.85 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.464 -0.773 . . . . 0.0 109.581 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.675 ' O ' HG23 ' A' ' 69' ' ' THR . 20.2 t-20 -79.71 -38.89 32.42 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.586 -0.697 . . . . 0.0 109.94 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 130' ' ' LEU . 38.1 tp -57.43 -32.33 66.79 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.469 -0.769 . . . . 0.0 109.803 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 63' ' ' ILE . 25.4 m-85 -96.23 -29.62 13.92 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 109.806 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.2 t -68.39 -20.81 64.7 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.357 -0.839 . . . . 0.0 110.259 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 65' ' ' ASN . 24.3 p -55.31 149.95 12.11 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.934 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 48.0 mmtm -64.31 -21.9 66.77 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.56 -0.713 . . . . 0.0 110.241 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 0.8 OUTLIER -76.2 -37.66 57.5 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.685 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.471 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 29.5 t -82.08 -30.7 31.14 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.217 -0.927 . . . . 0.0 109.838 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 98.6 p -66.45 -37.74 85.81 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.523 -0.736 . . . . 0.0 109.241 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -20.48 43.96 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.56 -32.97 62.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.566 ' CE3' ' HD2' ' A' ' 23' ' ' LYS . 80.5 m95 -117.82 174.34 6.24 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.562 -0.711 . . . . 0.0 109.929 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.404 ' HB2' HD12 ' A' ' 80' ' ' LEU . 2.9 m-20 -69.34 133.76 48.24 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -65.56 -29.09 69.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.475 -0.765 . . . . 0.0 110.522 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.9 m -78.43 -42.46 29.98 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.493 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 96.4 mt -64.74 -37.48 87.75 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.23 -33.21 69.67 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.65 -49.15 75.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.93 -33.61 76.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.992 ' HA ' HD13 ' A' ' 17' ' ' LEU . 7.6 t80 -66.44 -30.71 71.13 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.725 -0.609 . . . . 0.0 109.68 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -74.89 -41.47 59.7 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.196 -0.94 . . . . 0.0 109.25 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.7 m -65.8 -38.47 89.06 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.621 -0.674 . . . . 0.0 109.516 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.84 ' HG3' HD11 ' A' ' 17' ' ' LEU . 63.2 mm-40 -74.46 -30.5 61.89 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.454 -0.778 . . . . 0.0 109.682 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.69 HD22 HG23 ' A' ' 60' ' ' ILE . 48.4 mt -69.92 -35.33 74.48 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CE2' ' CZ ' ' A' ' 64' ' ' PHE . 2.2 m-85 -72.27 -38.17 68.87 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.7 -0.625 . . . . 0.0 109.919 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -71.65 -39.56 70.26 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.317 -0.865 . . . . 0.0 109.683 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.594 ' HB3' HD13 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -65.92 -36.22 82.78 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.23 -50.6 67.37 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -54.87 -43.27 73.0 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.941 -0.474 . . . . 0.0 109.929 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.41 -46.97 86.16 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.35 -0.844 . . . . 0.0 108.781 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.595 HD23 HG23 ' A' ' 53' ' ' ILE . 56.9 mt . . . . . 0 C--O 1.217 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 109.977 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 2.8 p30 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.616 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 32.6 t -69.42 -41.72 75.97 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.765 HG12 ' HA ' ' A' ' 55' ' ' VAL . 78.2 mt -68.67 -37.73 77.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 117' ' ' LEU . 43.4 mt -63.7 -34.17 77.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.76 -0.588 . . . . 0.0 109.487 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.687 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.91 -44.73 84.33 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.75 -25.6 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -71.33 -44.52 64.93 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.152 -0.967 . . . . 0.0 109.768 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -71.64 -26.44 62.55 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.373 -0.829 . . . . 0.0 109.233 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.72 ' CE2' HD11 ' A' ' 126' ' ' ILE . 80.7 t80 -68.13 -52.03 39.48 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.434 -0.791 . . . . 0.0 109.038 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.417 ' HA ' HD12 ' A' ' 126' ' ' ILE . 16.2 m-85 -67.49 -27.36 66.94 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.746 -0.596 . . . . 0.0 109.929 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.74 -42.02 99.46 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -66.6 -37.16 84.31 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.72 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.6 mt -63.08 -37.54 79.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.62 -0.675 . . . . 0.0 109.522 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -67.33 -41.62 84.95 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.395 -0.816 . . . . 0.0 109.667 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -69.33 -33.89 73.82 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.299 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.546 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 20.6 t80 -65.0 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.498 -0.751 . . . . 0.0 109.328 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 50.1 mt -68.01 -39.25 83.2 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.692 -0.63 . . . . 0.0 109.506 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.8 -25.37 61.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.099 -1.0 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.2 -47.6 49.41 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.298 -0.876 . . . . 0.0 109.124 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -81.9 2.86 28.52 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.88 -0.513 . . . . 0.0 109.83 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 61.86 36.48 15.94 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.504 -0.748 . . . . 0.0 110.034 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 64.8 m-85 58.28 49.19 11.44 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.632 -0.667 . . . . 0.0 110.181 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.454 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 25.4 m -78.16 161.63 69.87 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.295 -0.878 . . . . 0.0 109.497 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.2 Cg_endo -69.19 -34.27 16.86 Favored 'Trans proline' 0 C--N 1.352 0.718 0 O-C-N 123.773 1.407 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.41 -39.26 68.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.417 -0.802 . . . . 0.0 109.078 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.428 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.6 -40.02 94.77 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.471 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 24.1 m95 -67.89 -31.56 71.45 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.632 -0.667 . . . . 0.0 109.76 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -65.86 -39.97 91.23 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.332 -0.855 . . . . 0.0 108.898 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.762 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.7 t -67.34 -41.37 86.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 139' ' ' ALA . 66.1 t -70.86 -23.27 23.65 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 121.623 -0.673 . . . . 0.0 109.509 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.442 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 27.6 ttp85 -72.69 -46.71 52.37 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.542 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.05 75.23 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.79 -37.58 70.41 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.617 -0.677 . . . . 0.0 109.686 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -68.83 -38.03 78.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 O-C-N 121.311 -0.868 . . . . 0.0 108.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 31.9 ttm -64.06 -49.91 70.46 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.608 -0.683 . . . . 0.0 109.832 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -33.22 74.41 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.771 -0.581 . . . . 0.0 111.06 -178.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.9 m -72.48 -49.31 33.99 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.164 -0.96 . . . . 0.0 109.329 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.625 ' HB3' HD21 ' A' ' 15' ' ' LEU . 40.9 t80 -65.87 -31.53 72.53 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.589 -0.694 . . . . 0.0 109.483 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 39.0 m -71.81 -40.96 68.81 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.543 HD22 ' OE1' ' A' ' 40' ' ' GLN . 20.7 mt -61.17 -43.36 99.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 121.215 0.531 . . . . 0.0 109.94 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.617 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.7 m -65.74 -37.72 87.17 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.703 -0.623 . . . . 0.0 110.082 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.769 HG21 ' HB3' ' A' ' 11' ' ' SER . 66.8 p -92.13 1.82 56.97 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.439 -0.788 . . . . 0.0 110.272 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 152' ' ' SER . 47.5 t30 . . . . . 0 C--O 1.211 -0.942 0 O-C-N 121.258 -0.901 . . . . 0.0 111.099 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 155' ' ' THR . 35.0 p . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 120.833 0.349 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -63.9 -36.78 85.06 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.409 -0.807 . . . . 0.0 109.367 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -67.78 -35.35 78.51 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.561 -0.712 . . . . 0.0 109.284 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.5 m -62.24 -44.39 96.67 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.581 -0.7 . . . . 0.0 109.204 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 151' ' ' PHE . 95.7 mt -68.45 -32.93 73.3 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.583 -0.698 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.6 ttp -64.89 -38.32 90.57 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.302 -0.874 . . . . 0.0 108.876 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 84' ' ' PHE . 79.9 mt -63.33 -40.84 98.42 Favored 'General case' 0 C--O 1.212 -0.868 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 15' ' ' LEU . 48.6 mt -61.18 -36.25 79.33 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.758 -0.589 . . . . 0.0 109.626 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.02 90.97 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.5 -0.75 . . . . 0.0 109.572 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -71.09 -30.33 66.41 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.293 -0.879 . . . . 0.0 109.601 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.466 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 34.9 mtp -68.23 -27.28 66.22 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.534 -0.729 . . . . 0.0 110.041 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -49.22 126.4 12.75 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.455 -0.778 . . . . 0.0 109.519 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 76' ' ' TRP . 17.3 mtpt -112.64 -27.13 8.31 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.794 -0.566 . . . . 0.0 109.676 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.801 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pt -128.73 170.34 18.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 O-C-N 121.447 -0.783 . . . . 0.0 109.952 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m -84.09 137.64 33.46 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 30' ' ' LEU . 53.9 tp -60.74 -39.86 90.28 Favored 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.766 ' HA ' HD13 ' A' ' 30' ' ' LEU . 83.1 m-85 -60.81 -40.13 91.55 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -59.83 -30.58 69.04 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.801 ' SG ' HD12 ' A' ' 24' ' ' ILE . 63.0 m -102.53 50.6 0.82 Allowed 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.648 -0.658 . . . . 0.0 109.6 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.766 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -88.64 10.88 19.07 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.332 -0.855 . . . . 0.0 109.719 178.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -97.23 -25.38 15.3 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.299 -0.876 . . . . 0.0 109.395 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.578 ' O ' HG21 ' A' ' 142' ' ' VAL . 4.2 m-20 -116.32 23.32 12.19 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.423 -0.798 . . . . 0.0 109.896 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -86.36 123.57 31.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.008 -1.057 . . . . 0.0 109.292 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -144.71 132.38 21.07 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.76 114.2 7.73 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.503 -0.748 . . . . 0.0 109.157 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.65 ' HE1' ' HB2' ' A' ' 129' ' ' TYR . 60.4 m-85 -69.38 -51.94 31.9 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.119 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.59 67.71 0.54 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 54.1 t80 -72.28 133.18 83.49 Favored Pre-proline 0 C--O 1.216 -0.664 0 O-C-N 121.633 -0.922 . . . . 0.0 109.195 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 53.5 Cg_endo -79.83 81.07 2.87 Favored 'Trans proline' 0 C--N 1.352 0.73 0 O-C-N 123.722 1.38 . . . . 0.0 110.89 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 5.4 tm0? -88.4 -17.91 29.48 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.242 -0.911 . . . . 0.0 109.49 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.66 -32.39 69.05 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -94.22 26.74 3.17 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.351 -0.843 . . . . 0.0 109.271 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 8.1 m-85 . . . . . 0 C--O 1.211 -0.922 0 O-C-N 121.275 -0.89 . . . . 0.0 109.772 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.512 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.9 p . . . . . 0 C--O 1.208 -1.127 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.771 HG23 HD23 ' A' ' 95' ' ' LEU . 37.6 mt -54.36 -41.98 91.82 Favored Pre-proline 0 C--O 1.214 -0.787 0 O-C-N 120.933 -1.104 . . . . 0.0 110.685 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.2 Cg_endo -68.9 -37.25 11.72 Favored 'Trans proline' 0 C--N 1.356 0.958 0 O-C-N 123.06 1.032 . . . . 0.0 110.301 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.798 ' HA ' HG12 ' A' ' 116' ' ' ILE . 41.3 t -68.77 -47.14 77.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.617 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 67.3 mt -60.24 -35.05 74.6 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' HD23 ' A' ' 92' ' ' LEU . 60.5 t-80 -60.53 -47.97 83.84 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.64 -0.663 . . . . 0.0 109.393 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.613 ' HG2' ' CG2' ' A' ' 116' ' ' ILE . 5.4 tp10 -69.35 -30.66 68.73 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.268 -0.895 . . . . 0.0 109.486 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 ttm -64.5 -39.9 94.64 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.369 -0.832 . . . . 0.0 108.899 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.648 HG21 ' HG ' ' A' ' 92' ' ' LEU . 9.6 mm -65.68 -36.15 76.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.36 -33.88 71.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.505 -0.747 . . . . 0.0 109.619 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.39 -40.28 74.04 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.351 -0.843 . . . . 0.0 109.328 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.606 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.2 mt -75.89 -25.18 17.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.696 ' HA ' HD13 ' A' ' 88' ' ' LEU . 56.6 t80 -68.94 -43.43 75.09 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 121.275 -0.891 . . . . 0.0 109.537 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.676 ' O ' HG23 ' A' ' 69' ' ' THR . 6.5 m120 -81.52 -35.1 30.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.482 -0.761 . . . . 0.0 109.645 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 130' ' ' LEU . 49.2 tp -60.3 -32.43 71.2 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.485 -0.759 . . . . 0.0 109.355 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.606 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.9 m-85 -96.76 -27.58 14.67 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.527 -0.733 . . . . 0.0 110.017 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.7 t -70.0 -22.95 63.07 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.296 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 65' ' ' ASN . 25.3 p -53.47 147.63 10.5 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.315 -0.866 . . . . 0.0 109.922 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -60.55 -23.54 64.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.564 -0.71 . . . . 0.0 109.99 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 46.0 m-20 -72.52 -43.79 63.08 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 109.456 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.515 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 9.5 t -79.8 -30.37 40.56 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.351 -0.843 . . . . 0.0 109.616 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.565 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 32.7 t -65.35 -37.19 86.29 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.585 -0.697 . . . . 0.0 109.285 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -24.26 32.09 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.08 67.83 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 23' ' ' LYS . 73.7 m95 -121.21 170.62 9.4 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.525 -0.735 . . . . 0.0 109.931 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -65.63 133.15 50.54 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.63 -28.98 69.98 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.5 -0.75 . . . . 0.0 110.508 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -78.24 -43.78 27.37 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.048 -1.033 . . . . 0.0 109.063 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 80' ' ' LEU . 61.2 mt -62.87 -36.66 84.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.565 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.94 -34.04 68.71 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.21 -50.92 69.88 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.22 -35.49 81.22 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.865 ' HA ' HD13 ' A' ' 17' ' ' LEU . 26.0 t80 -61.57 -31.67 71.72 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.664 -0.647 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -76.21 -32.99 59.26 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.5 m -69.35 -36.02 76.46 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.535 -0.728 . . . . 0.0 109.493 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' OE1' HD11 ' A' ' 17' ' ' LEU . 1.2 mp0 -76.91 -28.1 55.16 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.323 -0.861 . . . . 0.0 109.368 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 64' ' ' PHE . 65.1 mt -73.09 -40.11 65.28 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.454 -0.779 . . . . 0.0 109.296 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.82 -32.97 52.55 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 179.502 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.29 -46.01 74.87 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 45.1 tp60 -68.18 -26.56 65.81 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.648 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.8 mt -72.7 -35.52 67.65 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.354 -0.841 . . . . 0.0 109.848 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.64 -39.97 56.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.256 -0.903 . . . . 0.0 109.0 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -66.04 -39.18 89.94 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.771 HD23 HG23 ' A' ' 53' ' ' ILE . 43.5 mt . . . . . 0 C--O 1.216 -0.676 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--O 1.215 -0.73 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.511 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 32.6 t -64.1 -41.22 97.35 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.798 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.9 mt -66.8 -36.62 77.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.56 HD23 ' HD2' ' A' ' 120' ' ' ARG . 28.0 mt -62.55 -35.37 79.23 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.85 -0.531 . . . . 0.0 109.629 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -66.75 -43.31 84.49 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 82.2 t -67.74 -27.91 39.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 O-C-N 121.669 -0.644 . . . . 0.0 109.547 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.56 ' HD2' HD23 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.31 -37.24 77.66 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.011 -1.056 . . . . 0.0 109.198 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -72.36 -32.99 66.93 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.359 -0.838 . . . . 0.0 108.935 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.771 ' CE2' HD11 ' A' ' 126' ' ' ILE . 72.0 t80 -64.25 -50.07 69.41 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.584 -0.698 . . . . 0.0 109.275 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -69.04 -26.6 65.06 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.743 -0.598 . . . . 0.0 110.534 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.24 95.27 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 2.8 tpt85 -65.99 -39.04 89.98 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.771 HD11 ' CE2' ' A' ' 122' ' ' TYR . 66.6 mt -61.05 -37.18 76.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 O-C-N 121.551 -0.718 . . . . 0.0 109.369 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.1 m -68.55 -38.41 80.76 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.543 -0.723 . . . . 0.0 109.7 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.3 tt -67.66 -38.24 83.52 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.346 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.65 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.5 t80 -62.77 -37.44 86.67 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.555 -0.716 . . . . 0.0 109.291 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 66' ' ' LEU . 60.7 mt -67.14 -41.52 85.94 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.31 -24.79 63.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.874 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -47.8 45.25 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.345 -0.847 . . . . 0.0 109.408 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.57 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.3 mptt -83.41 4.48 27.35 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 58.84 39.54 23.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.418 -0.801 . . . . 0.0 109.669 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.9 m-85 60.6 52.8 4.35 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.541 -0.724 . . . . 0.0 109.586 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.452 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 37.2 t -78.48 151.4 77.56 Favored Pre-proline 0 C--O 1.215 -0.737 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.452 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.3 Cg_endo -63.49 -31.5 71.54 Favored 'Trans proline' 0 C--N 1.353 0.798 0 O-C-N 123.648 1.341 . . . . 0.0 111.052 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.88 -40.69 54.04 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.264 -0.898 . . . . 0.0 108.863 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.57 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.55 -36.25 82.04 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.515 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 19.9 m95 -71.28 -34.99 71.16 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.633 -0.667 . . . . 0.0 109.5 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.82 -37.12 86.55 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.1 t -68.53 -42.95 83.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 147' ' ' ILE . 96.1 t -69.99 -22.76 24.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 121.767 -0.583 . . . . 0.0 109.596 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.416 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 30.0 ttp85 -71.28 -47.81 54.67 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 120.993 -1.067 . . . . 0.0 108.717 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.01 72.67 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.57 -33.76 66.99 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.603 -0.685 . . . . 0.0 109.749 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 143' ' ' VAL . 12.0 mm -72.1 -37.88 61.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.552 ' HE2' ' HB2' ' A' ' 18' ' ' LEU . 36.5 ttm -65.02 -34.72 79.12 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' A' ' 149' ' ' ARG . 20.7 tpp180 -70.84 -57.5 4.55 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 121.776 -0.577 . . . . 0.0 109.976 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.518 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 19.9 p -57.86 -38.69 76.16 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.958 -0.464 . . . . 0.0 109.994 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.855 ' HB3' HD21 ' A' ' 15' ' ' LEU . 35.7 t80 -71.52 -39.38 70.79 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.411 -0.806 . . . . 0.0 109.575 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.591 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 21.8 t -68.48 -28.81 67.36 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 121.624 -0.672 . . . . 0.0 109.385 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.526 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 38.4 mt -71.97 -45.86 59.5 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.643 -0.661 . . . . 0.0 109.372 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.617 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.1 m -66.5 -40.09 89.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.798 -0.564 . . . . 0.0 110.272 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.521 HG21 ' CE2' ' A' ' 151' ' ' PHE . 74.6 p -86.65 -10.09 54.57 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.525 -0.734 . . . . 0.0 110.98 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.7 t-20 . . . . . 0 C--O 1.212 -0.879 0 O-C-N 120.866 -1.146 . . . . 0.0 109.32 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 155' ' ' THR . 45.5 p . . . . . 0 C--O 1.216 -0.694 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -69.62 -38.14 77.12 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.614 -0.679 . . . . 0.0 109.462 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.589 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 15.8 ttt85 -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.394 -0.816 . . . . 0.0 109.469 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.9 m -68.75 -40.0 80.02 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.062 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD21 ' HB3' ' A' ' 151' ' ' PHE . 31.3 mt -70.65 -40.99 72.7 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.777 -0.577 . . . . 0.0 110.178 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.589 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.5 ptm -63.78 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.109 -0.994 . . . . 0.0 109.074 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.908 HD13 ' HA ' ' A' ' 84' ' ' PHE . 65.6 mt -63.27 -46.38 87.08 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -57.46 -34.89 69.48 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.782 -0.574 . . . . 0.0 109.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.54 72.98 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.473 -0.767 . . . . 0.0 109.686 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.31 -33.41 75.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.431 -0.793 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.419 ' HG3' ' HB3' ' A' ' 80' ' ' LEU . 7.7 mtp -67.03 -29.98 69.94 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.405 -0.809 . . . . 0.0 109.747 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -52.2 109.93 0.43 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.609 -0.682 . . . . 0.0 109.694 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -98.69 -35.6 10.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.57 -0.706 . . . . 0.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.2 pt -106.1 172.44 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 O-C-N 121.602 -0.686 . . . . 0.0 109.347 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.0 147.86 24.08 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.56 -32.92 74.78 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.24 -39.41 86.17 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -64.04 -27.28 69.0 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.528 -0.732 . . . . 0.0 109.15 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.866 ' SG ' HD12 ' A' ' 24' ' ' ILE . 20.1 m -113.76 54.34 0.75 Allowed 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.564 -0.71 . . . . 0.0 110.123 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.7 mt -84.03 3.02 36.38 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 120.909 -1.119 . . . . 0.0 110.075 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -80.28 -28.47 38.32 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 109.125 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.797 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.6 m-20 -105.29 16.0 26.39 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.699 -0.626 . . . . 0.0 110.111 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 109.01 2.06 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.566 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -148.44 124.1 10.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.696 -0.628 . . . . 0.0 109.383 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -81.6 127.68 33.13 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.476 -0.765 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.636 ' CD2' HG12 ' A' ' 126' ' ' ILE . 20.6 m-30 -82.58 -49.58 9.71 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.47 -0.768 . . . . 0.0 109.376 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.84 71.7 0.45 Allowed Glycine 0 CA--C 1.535 1.295 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.2 t80 -65.7 130.17 94.48 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.499 -1.001 . . . . 0.0 109.035 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.2 Cg_endo -75.7 73.4 4.72 Favored 'Trans proline' 0 C--N 1.352 0.762 0 O-C-N 123.775 1.408 . . . . 0.0 110.954 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.655 ' CD ' HD22 ' A' ' 153' ' ' LEU . 36.6 tt0 -79.69 -18.94 50.12 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.348 -0.845 . . . . 0.0 109.402 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.97 -29.06 66.9 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.02 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.2 tp10 -93.84 20.11 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.474 -0.766 . . . . 0.0 109.326 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.578 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 28.6 m-85 . . . . . 0 C--O 1.215 -0.742 0 O-C-N 121.355 -0.841 . . . . 0.0 109.692 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.635 HG22 ' HB ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.212 -0.914 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.807 HG23 HD23 ' A' ' 95' ' ' LEU . 70.6 mt -49.69 -46.71 79.82 Favored Pre-proline 0 C--O 1.212 -0.901 0 O-C-N 121.425 -0.797 . . . . 0.0 111.814 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.06 -35.86 40.42 Favored 'Trans proline' 0 C--N 1.354 0.834 0 O-C-N 123.141 1.074 . . . . 0.0 110.788 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HB ' HG22 ' A' ' 52' ' ' THR . 8.0 t -68.98 -39.99 80.41 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.566 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 39.1 mt -65.78 -35.64 81.28 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CD2' HD23 ' A' ' 92' ' ' LEU . 59.7 t-80 -60.04 -48.84 80.03 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.637 -0.664 . . . . 0.0 109.329 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.912 ' HG3' HD13 ' A' ' 116' ' ' ILE . 10.8 mm-40 -70.79 -24.2 62.53 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 119.344 -0.942 . . . . 0.0 109.321 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.2 -36.77 80.07 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.678 HG21 ' O ' ' A' ' 88' ' ' LEU . 12.6 mm -75.74 -28.01 19.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 O-C-N 121.411 -0.805 . . . . 0.0 109.241 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.79 -36.78 67.67 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.256 -0.902 . . . . 0.0 108.9 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.423 ' OE1' HG12 ' A' ' 119' ' ' VAL . 84.3 mt-30 -74.18 -38.92 63.52 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.497 -0.752 . . . . 0.0 110.256 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.9 mt -72.84 -36.02 51.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 121.181 -0.95 . . . . 0.0 108.518 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.688 ' HA ' HD13 ' A' ' 88' ' ' LEU . 41.7 t80 -59.84 -42.81 94.41 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.498 -0.751 . . . . 0.0 109.798 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.653 ' O ' HG23 ' A' ' 69' ' ' THR . 20.3 t-20 -80.19 -39.36 29.37 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.468 -0.77 . . . . 0.0 110.117 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 130' ' ' LEU . 29.8 tp -58.64 -32.04 68.69 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.33 -0.857 . . . . 0.0 109.487 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.9 m-85 -93.82 -31.95 14.16 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.455 -0.778 . . . . 0.0 109.753 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 25.0 t -65.61 -25.31 67.33 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 65' ' ' ASN . 40.5 p -54.19 146.02 16.07 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.213 -0.929 . . . . 0.0 109.544 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.11 -22.27 65.68 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.469 -0.77 . . . . 0.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 52.3 m-20 -68.92 -45.71 70.14 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 22.5 t -77.95 -29.95 50.12 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.577 -0.702 . . . . 0.0 109.475 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.558 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.7 m -65.48 -36.55 84.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.505 -0.747 . . . . 0.0 109.388 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.49 -26.44 30.22 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.23 72.4 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.588 -0.695 . . . . 0.0 109.967 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.48 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 73.8 m95 -118.84 178.15 4.59 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.589 -0.694 . . . . 0.0 109.529 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.84 135.9 43.44 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -66.25 -29.88 70.2 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.448 -0.782 . . . . 0.0 110.565 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -77.54 -45.56 25.03 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.164 -0.96 . . . . 0.0 108.9 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 96.6 mt -62.65 -35.89 81.08 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.9 mt -72.58 -33.67 66.9 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.41 -51.66 67.53 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.09 -35.36 80.51 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.908 ' HA ' HD13 ' A' ' 17' ' ' LEU . 45.5 t80 -62.1 -35.81 79.84 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.669 -0.645 . . . . 0.0 109.761 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.446 ' HA ' HD12 ' A' ' 88' ' ' LEU . 21.6 m-85 -72.62 -37.07 68.17 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.228 -0.92 . . . . 0.0 109.336 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.3 m -64.93 -42.6 94.52 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.568 -0.708 . . . . 0.0 109.562 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.53 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 58.3 mm-40 -68.65 -30.76 69.54 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.37 -0.831 . . . . 0.0 109.366 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' ' 64' ' ' PHE . 36.0 mt -66.89 -45.59 77.56 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.603 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.4 t80 -73.88 -31.69 63.26 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -66.39 -46.85 75.26 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.144 -0.972 . . . . 0.0 108.727 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.44 -30.5 71.53 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.51 ' HG ' HG21 ' A' ' 60' ' ' ILE . 11.2 mt -69.51 -33.75 73.28 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.773 -0.579 . . . . 0.0 109.86 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -69.44 -44.17 71.84 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.276 -0.89 . . . . 0.0 109.313 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.46 -42.51 87.47 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.604 -0.685 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.807 HD23 HG23 ' A' ' 53' ' ' ILE . 81.1 mt . . . . . 0 C--O 1.216 -0.667 0 O-C-N 121.802 -0.561 . . . . 0.0 109.755 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.622 ' HB3' HG11 ' A' ' 55' ' ' VAL . 68.9 m -69.32 -48.27 62.01 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.912 HD13 ' HG3' ' A' ' 58' ' ' GLU . 80.2 mt -68.61 -31.89 52.89 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 O-C-N 121.56 -0.712 . . . . 0.0 109.282 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 117' ' ' LEU . 21.1 mt -68.97 -34.77 75.87 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.599 -0.688 . . . . 0.0 109.305 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.48 -44.35 78.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 115' ' ' SER . 45.9 t -67.44 -26.02 34.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -70.96 -43.94 67.09 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.246 -0.909 . . . . 0.0 109.661 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.63 -30.28 67.97 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.406 -0.809 . . . . 0.0 108.918 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 88.8 t80 -65.59 -51.16 61.79 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.65 -28.15 66.63 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.762 -0.587 . . . . 0.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -64.77 -40.5 95.37 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 tpt85 -66.62 -33.58 75.98 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.636 HG12 ' CD2' ' A' ' 36' ' ' PHE . 40.9 mt -67.93 -36.86 77.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 121.523 -0.736 . . . . 0.0 109.178 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.3 m -65.4 -43.64 89.98 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.459 -0.776 . . . . 0.0 109.354 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 128' ' ' LEU . 31.6 mt -72.12 -31.63 66.2 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.496 -0.753 . . . . 0.0 109.718 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -63.6 -43.66 96.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' A' ' 140' ' ' TRP . 36.7 mt -65.49 -44.22 87.75 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -67.57 -29.12 68.4 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.394 -0.816 . . . . 0.0 109.847 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.51 -46.24 67.01 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.482 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.562 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.3 mptt -83.83 5.04 26.57 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.708 -0.62 . . . . 0.0 109.856 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp 60.73 38.82 18.03 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.515 -0.74 . . . . 0.0 110.171 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 44.0 m-85 57.78 50.15 11.09 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.569 -0.707 . . . . 0.0 109.862 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.401 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 33.5 t -76.9 149.73 80.56 Favored Pre-proline 0 C--O 1.216 -0.703 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.502 ' O ' HD11 ' A' ' 24' ' ' ILE . 37.0 Cg_endo -64.99 -32.45 53.95 Favored 'Trans proline' 0 C--N 1.353 0.772 0 O-C-N 123.628 1.331 . . . . 0.0 110.603 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.0 m -70.99 -40.82 71.66 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.52 94.94 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.558 ' CE2' HD22 ' A' ' 130' ' ' LEU . 21.2 m95 -64.44 -34.52 78.39 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 121.684 -0.635 . . . . 0.0 109.821 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.41 -43.28 97.96 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.274 -0.891 . . . . 0.0 108.985 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.797 HG21 ' O ' ' A' ' 32' ' ' ASP . 51.0 t -62.59 -42.15 94.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 121.788 -0.57 . . . . 0.0 109.551 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 147' ' ' ILE . 60.4 t -73.55 -25.31 20.81 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.939 0 O-C-N 121.584 -0.698 . . . . 0.0 110.313 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.652 ' HG3' ' N ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -68.97 -49.38 58.44 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.024 -1.047 . . . . 0.0 108.416 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.652 ' N ' ' HG3' ' A' ' 144' ' ' ARG . . . -63.22 -37.24 86.44 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 142' ' ' VAL . 48.7 mt-10 -68.98 -31.71 70.76 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.802 -0.561 . . . . 0.0 110.094 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.1 mm -76.39 -30.79 19.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 121.308 -0.87 . . . . 0.0 109.289 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 32.8 ttm -73.89 -36.72 64.81 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -73.22 -42.54 62.49 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.554 -0.716 . . . . 0.0 109.322 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 73.7 m -66.2 -35.74 81.23 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.607 -0.683 . . . . 0.0 109.545 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.878 ' HB3' HD21 ' A' ' 15' ' ' LEU . 20.6 t80 -72.69 -42.72 63.92 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.45 -0.781 . . . . 0.0 109.39 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 76.0 p -64.96 -33.35 75.83 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.655 HD22 ' CD ' ' A' ' 40' ' ' GLN . 70.5 mt -69.12 -42.5 75.99 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.668 -0.645 . . . . 0.0 109.496 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.566 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 16.8 p -64.67 -35.18 80.2 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.699 -0.626 . . . . 0.0 110.023 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.702 HG21 ' CE1' ' A' ' 151' ' ' PHE . 25.4 p -100.34 1.42 41.52 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.759 -0.588 . . . . 0.0 110.909 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 152' ' ' SER . 13.9 t-20 . . . . . 0 CA--C 1.543 0.711 0 O-C-N 121.101 -0.999 . . . . 0.0 109.722 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.524 ' HB2' HG21 ' A' ' 155' ' ' THR . 72.6 p . . . . . 0 C--O 1.217 -0.641 0 CA-C-O 120.901 0.382 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -65.91 -38.63 89.19 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -71.54 -37.89 71.09 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.343 -0.848 . . . . 0.0 109.476 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -61.76 -46.07 91.19 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.447 -0.783 . . . . 0.0 109.276 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 151' ' ' PHE . 85.2 mt -70.4 -31.97 69.4 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.615 -0.678 . . . . 0.0 109.654 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.6 ttp -63.87 -37.3 86.88 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.254 -0.903 . . . . 0.0 108.652 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.856 HD13 ' HA ' ' A' ' 84' ' ' PHE . 94.7 mt -63.63 -43.37 96.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 15' ' ' LEU . 54.5 mt -58.15 -40.37 81.18 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.83 -0.544 . . . . 0.0 109.576 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.76 96.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.668 -0.645 . . . . 0.0 109.793 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.47 -30.17 69.8 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 18' ' ' LEU . 26.5 mtp -68.23 -28.04 66.89 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB2' ' NH1' ' A' ' 144' ' ' ARG . 37.5 ttm180 -56.27 115.28 2.38 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.356 -0.84 . . . . 0.0 109.668 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -100.9 -35.98 9.21 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.373 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.725 HD12 ' SG ' ' A' ' 29' ' ' CYS . 6.4 pt -104.5 170.39 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.461 -0.775 . . . . 0.0 109.867 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -89.96 134.38 34.26 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 30' ' ' LEU . 58.9 tp -58.74 -40.07 82.78 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.784 ' HA ' HD13 ' A' ' 30' ' ' LEU . 93.6 m-85 -58.67 -41.73 86.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -57.94 -31.95 67.33 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' A' ' 24' ' ' ILE . 80.1 m -101.34 50.68 0.85 Allowed 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.784 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -89.88 0.18 57.2 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -93.32 -25.18 17.85 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 109.09 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.689 ' O ' HG21 ' A' ' 142' ' ' VAL . 12.1 t70 -104.49 18.39 22.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.53 -0.731 . . . . 0.0 109.57 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -73.33 119.24 17.29 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.165 -0.959 . . . . 0.0 109.513 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.13 129.6 13.9 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.69 145.01 36.87 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.207 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.516 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 24.2 m-85 -94.97 -39.9 9.95 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.442 -0.786 . . . . 0.0 109.843 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.46 60.01 0.46 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.5 t80 -66.07 132.57 94.61 Favored Pre-proline 0 C--O 1.217 -0.641 0 O-C-N 121.637 -0.92 . . . . 0.0 109.053 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.61 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.3 Cg_endo -78.64 62.58 8.33 Favored 'Trans proline' 0 C--N 1.352 0.741 0 O-C-N 123.829 1.437 . . . . 0.0 111.376 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 4.2 tp60 -75.33 -26.8 58.91 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.14 -31.97 63.82 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -97.78 44.96 1.03 Allowed 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 1.7 m-85 . . . . . 0 C--O 1.213 -0.852 0 O-C-N 121.535 -0.728 . . . . 0.0 109.352 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.404 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 25.5 p . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.71 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 84.9 mt -64.19 -37.58 27.26 Favored Pre-proline 0 C--O 1.216 -0.702 0 O-C-N 121.488 -0.757 . . . . 0.0 109.819 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.71 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -64.85 -25.11 60.48 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.049 1.026 . . . . 0.0 110.178 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.773 ' HA ' HG12 ' A' ' 116' ' ' ILE . 13.5 t -71.07 -38.67 72.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 37.7 mt -68.93 -33.87 74.43 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.508 ' CE1' HD22 ' A' ' 92' ' ' LEU . 64.3 t-80 -65.35 -48.01 74.47 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.837 ' HG3' HD13 ' A' ' 116' ' ' ILE . 74.4 mm-40 -72.74 -27.18 61.88 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 ttt -66.53 -48.45 69.69 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.746 HG23 HD22 ' A' ' 88' ' ' LEU . 30.6 mt -69.18 -21.85 25.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -73.76 -35.67 65.02 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.73 -35.79 70.28 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.59 -0.693 . . . . 0.0 109.162 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.605 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.5 mt -74.88 -29.68 22.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.532 ' HA ' HD13 ' A' ' 88' ' ' LEU . 37.1 t80 -63.58 -46.72 84.58 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.333 -0.855 . . . . 0.0 109.431 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 69' ' ' THR . 19.8 t-20 -78.3 -37.94 43.6 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.627 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 130' ' ' LEU . 36.8 tp -57.56 -33.42 68.12 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.444 -0.785 . . . . 0.0 109.399 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 63' ' ' ILE . 17.4 m-85 -95.3 -24.73 16.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.667 -0.646 . . . . 0.0 110.015 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -79.08 -14.76 58.95 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.336 -0.852 . . . . 0.0 110.381 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 65' ' ' ASN . 22.6 p -55.6 151.76 10.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.18 -0.95 . . . . 0.0 110.044 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -62.25 -22.23 65.82 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.588 -0.695 . . . . 0.0 109.751 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 43.7 m-20 -78.61 -40.91 33.09 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.357 -0.84 . . . . 0.0 109.688 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.503 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 21.9 t -79.46 -32.83 42.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 110.141 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.463 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 72.3 m -62.63 -35.93 81.18 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.52 -0.738 . . . . 0.0 109.124 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.38 -26.31 30.57 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -67.24 -31.57 72.01 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.544 -0.723 . . . . 0.0 110.333 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -120.16 175.08 6.11 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.479 -0.763 . . . . 0.0 109.631 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.73 133.82 46.92 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.9 -28.27 69.42 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.415 -0.803 . . . . 0.0 110.418 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.7 m -78.18 -44.81 24.82 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 108.84 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.0 -37.58 87.74 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.1 mt -71.96 -33.03 67.85 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.2 -50.89 69.96 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -63.87 -35.04 79.35 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.856 ' HA ' HD13 ' A' ' 17' ' ' LEU . 21.2 t80 -64.98 -32.06 73.6 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.805 -0.559 . . . . 0.0 109.877 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.56 -38.59 65.16 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.062 -1.024 . . . . 0.0 109.207 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.4 m -69.23 -36.47 77.25 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 109.682 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -73.2 -36.07 66.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.302 -0.873 . . . . 0.0 109.157 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.836 HD11 ' CE2' ' A' ' 84' ' ' PHE . 64.3 mt -66.7 -40.37 88.45 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.488 -0.758 . . . . 0.0 109.257 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -72.68 -38.63 67.53 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.472 -0.768 . . . . 0.0 110.426 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.92 -48.25 69.24 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.11 -0.994 . . . . 0.0 109.8 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.48 -26.67 68.54 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.508 HD22 ' CE1' ' A' ' 57' ' ' HIS . 14.2 mt -66.92 -50.68 61.61 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.533 -0.73 . . . . 0.0 109.223 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -57.34 -38.35 73.97 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.642 -0.662 . . . . 0.0 109.582 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.99 -45.73 84.38 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 56' ' ' LEU . 69.2 mt . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.144 0.497 . . . . 0.0 109.712 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 C--O 1.215 -0.726 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 p -65.8 -46.9 76.94 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.341 -0.849 . . . . 0.0 108.878 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.837 HD13 ' HG3' ' A' ' 58' ' ' GLU . 80.0 mt -64.51 -31.58 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.941 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 117' ' ' LEU . 22.6 mt -69.39 -30.39 68.36 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.697 -0.627 . . . . 0.0 109.424 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.85 -48.92 67.33 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.27 -28.28 43.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -67.37 -43.23 81.91 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.291 -0.881 . . . . 0.0 109.85 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -29.24 65.48 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.388 -0.82 . . . . 0.0 109.179 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.785 ' CE2' HD11 ' A' ' 126' ' ' ILE . 72.7 t80 -65.96 -50.98 62.41 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.567 -0.708 . . . . 0.0 109.225 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -69.06 -27.37 65.58 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.783 -0.573 . . . . 0.0 110.171 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -63.74 -42.55 97.85 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.428 ' HD3' ' C ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -66.04 -41.79 90.4 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 122' ' ' TYR . 66.1 mt -57.59 -38.5 64.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.544 HG22 ' HE2' ' A' ' 131' ' ' LYS . 40.1 m -64.68 -42.0 95.67 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.54 -0.725 . . . . 0.0 109.552 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -65.53 -37.99 88.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.54 -0.725 . . . . 0.0 109.353 179.794 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.425 ' CG ' ' HE1' ' A' ' 36' ' ' PHE . 39.2 t80 -61.3 -39.04 88.99 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.544 -0.722 . . . . 0.0 109.347 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 66' ' ' LEU . 44.1 mt -66.03 -41.0 91.51 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.719 -0.613 . . . . 0.0 109.377 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.544 ' HE2' HG22 ' A' ' 127' ' ' THR . 61.7 mttm -70.69 -27.35 63.94 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 109.825 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.45 ' HG3' HD13 ' A' ' 128' ' ' LEU . 38.4 mt-10 -70.78 -48.69 52.95 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.366 -0.834 . . . . 0.0 109.599 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.7 mptt -82.05 3.73 25.67 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.656 -0.652 . . . . 0.0 109.711 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 61.75 35.78 16.63 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.386 -0.821 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 69.8 m-85 59.61 49.36 8.47 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.539 -0.726 . . . . 0.0 109.685 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.536 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.8 m -76.75 163.97 62.31 Favored Pre-proline 0 C--O 1.218 -0.602 0 O-C-N 121.476 -0.765 . . . . 0.0 109.286 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.2 Cg_endo -68.16 -40.03 9.44 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 O-C-N 123.78 1.411 . . . . 0.0 111.07 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -70.3 -35.41 73.67 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.489 -0.757 . . . . 0.0 109.384 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.26 -38.1 89.86 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.539 -0.726 . . . . 0.0 109.074 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 36.9 m95 -73.8 -33.32 64.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.448 -0.783 . . . . 0.0 109.702 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.421 ' HB2' HD11 ' A' ' 24' ' ' ILE . 34.8 tp10 -63.31 -41.32 98.92 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.7 t -65.3 -45.18 94.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.4 t -65.3 -24.18 34.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.459 ' NH1' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -65.11 -52.56 54.68 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.499 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.24 -32.24 73.75 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.773 -0.579 . . . . 0.0 109.807 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.55 -36.14 76.06 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 121.591 -0.693 . . . . 0.0 109.906 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 143' ' ' VAL . 30.5 mm -76.79 -34.99 23.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 121.186 -0.947 . . . . 0.0 109.484 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 29.4 ttm -66.98 -47.19 72.32 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.38 -0.825 . . . . 0.0 109.601 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 3.5 mmt180 -72.35 -40.25 67.51 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.702 -0.624 . . . . 0.0 110.575 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.423 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 74.9 m -66.58 -43.9 83.68 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.705 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.838 ' HB3' HD21 ' A' ' 15' ' ' LEU . 29.8 t80 -67.14 -36.18 81.31 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.581 -0.699 . . . . 0.0 109.371 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -71.41 -30.23 65.83 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.513 -0.742 . . . . 0.0 109.28 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 149' ' ' ARG . 48.4 mt -69.38 -46.12 67.67 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.577 -0.702 . . . . 0.0 109.331 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.563 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 18.8 m -66.71 -42.49 86.29 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.762 -0.586 . . . . 0.0 109.681 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.524 HG21 ' HB2' ' A' ' 11' ' ' SER . 81.9 p -79.24 -8.94 59.42 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.573 -0.704 . . . . 0.0 110.746 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 46.1 t30 . . . . . 0 C--O 1.217 -0.609 0 O-C-N 121.064 -1.023 . . . . 0.0 109.375 178.706 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 120.871 0.367 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -68.37 -46.51 69.87 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.286 -0.884 . . . . 0.0 110.566 -178.661 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.648 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 13.5 ptm180 -74.79 -28.16 60.61 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 m -73.0 -41.5 64.22 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.253 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.792 HD21 ' HB3' ' A' ' 151' ' ' PHE . 56.3 mt -70.59 -40.06 73.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.528 -0.732 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.566 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -63.58 -31.5 72.68 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.003 -1.061 . . . . 0.0 109.066 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 84' ' ' PHE . 53.9 mt -63.39 -45.15 92.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.543 HD21 ' CZ ' ' A' ' 84' ' ' PHE . 63.3 mt -58.99 -30.1 67.71 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.796 -0.565 . . . . 0.0 109.695 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.42 52.58 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.097 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -70.7 -31.97 69.03 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.291 -0.881 . . . . 0.0 110.526 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.637 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 ptp -72.34 -7.79 51.48 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.189 -0.944 . . . . 0.0 110.821 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.88 117.0 4.51 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 120.813 -1.179 . . . . 0.0 110.152 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.637 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.9 mptp? -91.27 -37.21 13.44 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.511 -0.743 . . . . 0.0 109.058 178.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.858 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.0 pt -125.81 171.02 15.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-O 121.464 0.65 . . . . 0.0 109.708 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -91.21 151.61 20.87 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.88 -27.84 69.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 109.102 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.404 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 76.5 m-85 -67.93 -36.9 80.94 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.42 -0.8 . . . . 0.0 109.363 178.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -64.62 -23.27 67.21 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.238 -0.914 . . . . 0.0 108.577 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.858 ' SG ' HD12 ' A' ' 24' ' ' ILE . 87.1 m -117.26 55.36 0.85 Allowed 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.672 -0.642 . . . . 0.0 110.282 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' A' ' 33' ' ' ARG . 35.3 mt -86.98 4.18 42.8 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.07 -1.019 . . . . 0.0 109.952 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -95.94 -23.71 16.73 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.884 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.702 ' O ' HG21 ' A' ' 142' ' ' VAL . 58.3 m-20 -115.23 28.12 8.91 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.328 -0.858 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.789 ' HD2' HD23 ' A' ' 30' ' ' LEU . 16.3 ptm180 -105.12 123.5 47.93 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.803 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -149.08 145.59 27.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.27 115.14 5.28 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 37.9 m-85 -69.56 -49.71 51.71 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.561 -0.712 . . . . 0.0 109.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.1 53.71 0.22 Allowed Glycine 0 C--O 1.217 -0.917 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 86.2 t80 -69.18 127.04 93.14 Favored Pre-proline 0 C--O 1.217 -0.648 0 O-C-N 121.492 -1.005 . . . . 0.0 108.929 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.596 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.2 Cg_endo -81.54 67.41 8.41 Favored 'Trans proline' 0 C--N 1.351 0.666 0 O-C-N 123.823 1.433 . . . . 0.0 111.531 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 153' ' ' LEU . 42.1 tp60 -73.56 -18.05 61.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.239 -0.913 . . . . 0.0 109.371 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.98 -30.88 68.28 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.261 -0.9 . . . . 0.0 109.259 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -98.97 35.91 1.79 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.404 -0.81 . . . . 0.0 109.003 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.464 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 7.0 m-85 . . . . . 0 C--O 1.216 -0.704 0 O-C-N 121.401 -0.812 . . . . 0.0 109.01 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.425 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 10.2 t . . . . . 0 C--O 1.213 -0.867 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.896 HG23 HD23 ' A' ' 95' ' ' LEU . 62.6 mt -57.21 -43.86 99.41 Favored Pre-proline 0 C--O 1.214 -0.798 0 O-C-N 121.285 -0.884 . . . . 0.0 110.84 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -64.44 -32.85 59.46 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 123.112 1.059 . . . . 0.0 110.641 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.575 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.6 t -73.7 -38.56 51.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.608 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 71.8 mt -68.42 -25.43 65.02 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.568 -0.707 . . . . 0.0 109.109 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.431 ' O ' HD21 ' A' ' 92' ' ' LEU . 59.4 t-80 -71.35 -50.79 28.69 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.328 -0.857 . . . . 0.0 109.407 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.654 ' HB3' HG23 ' A' ' 116' ' ' ILE . 15.8 tp10 -73.14 -27.91 61.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.119 -0.988 . . . . 0.0 109.881 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.404 ' HG3' HG11 ' A' ' 119' ' ' VAL . 18.1 ttt -70.69 -47.16 61.3 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.424 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.515 HG23 ' CD2' ' A' ' 88' ' ' LEU . 9.5 mt -70.34 -24.14 25.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.429 -0.794 . . . . 0.0 109.019 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -70.67 -40.11 73.16 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.35 -37.93 86.47 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.616 -0.677 . . . . 0.0 109.295 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.472 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.1 mt -70.86 -28.76 34.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.642 ' HA ' HD13 ' A' ' 88' ' ' LEU . 18.9 t80 -64.03 -51.92 61.9 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.375 -0.828 . . . . 0.0 109.555 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 69' ' ' THR . 56.5 t30 -74.53 -32.37 62.45 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.781 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 130' ' ' LEU . 38.6 tp -63.4 -31.76 73.01 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.315 -0.866 . . . . 0.0 109.288 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 63' ' ' ILE . 23.0 m-85 -100.6 -11.59 19.93 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.581 -0.7 . . . . 0.0 110.101 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 9.6 t -91.78 -13.68 31.11 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.194 -0.941 . . . . 0.0 109.743 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 65' ' ' ASN . 5.1 p -57.16 151.63 15.13 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.295 -0.878 . . . . 0.0 110.005 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.99 -24.83 67.87 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.585 -0.697 . . . . 0.0 109.679 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 45.6 m-20 -75.99 -38.75 57.05 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.44 -0.788 . . . . 0.0 109.289 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.508 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 88.3 p -78.06 -32.97 51.1 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.668 -0.645 . . . . 0.0 109.947 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.2 t -65.77 -34.01 77.19 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.557 -0.714 . . . . 0.0 109.443 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.27 -25.64 31.42 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.95 -35.91 77.32 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.518 -0.739 . . . . 0.0 110.141 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.449 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 65.8 m95 -116.75 170.41 8.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.689 -0.632 . . . . 0.0 109.813 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.41 134.13 52.81 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.212 -0.91 0 O-C-N 121.543 -0.723 . . . . 0.0 110.193 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -78.71 -44.58 23.19 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.136 -0.977 . . . . 0.0 108.937 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.19 -35.29 78.41 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.7 mt -75.24 -32.51 61.13 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.414 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 39.1 m-20 -55.92 -49.85 72.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.42 -39.7 94.34 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 88' ' ' LEU . 16.9 t80 -61.95 -26.46 68.21 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 121.739 -0.601 . . . . 0.0 109.875 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.9 m-85 -76.12 -41.02 51.44 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.096 -1.002 . . . . 0.0 109.083 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.0 m -69.37 -32.9 72.25 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.642 -0.661 . . . . 0.0 109.614 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.648 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -74.64 -35.3 62.87 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.285 -0.885 . . . . 0.0 109.643 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.771 HD11 ' CE2' ' A' ' 84' ' ' PHE . 74.8 mt -71.22 -41.27 70.43 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.496 -0.753 . . . . 0.0 109.599 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.5 t80 -77.34 -27.11 52.65 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.557 -0.714 . . . . 0.0 110.171 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -69.94 -49.91 47.15 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.168 -0.957 . . . . 0.0 108.681 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.451 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 11.3 tp-100 -67.2 -31.95 72.67 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 12.2 mt -66.64 -35.01 79.15 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.498 -0.752 . . . . 0.0 109.693 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -69.42 -42.36 75.13 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.394 -0.816 . . . . 0.0 109.459 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -35.11 74.06 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.492 -0.755 . . . . 0.0 109.582 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.896 HD23 HG23 ' A' ' 53' ' ' ILE . 69.3 mt . . . . . 0 C--O 1.217 -0.611 0 O-C-N 121.615 -0.678 . . . . 0.0 109.68 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 51.0 t0 . . . . . 0 C--O 1.214 -0.806 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.476 ' OG ' HG22 ' A' ' 55' ' ' VAL . 21.6 p -63.14 -50.67 69.51 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.38 -0.825 . . . . 0.0 109.514 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.654 HG23 ' HB3' ' A' ' 58' ' ' GLU . 80.3 mt -66.5 -35.8 75.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 O-C-N 121.7 -0.625 . . . . 0.0 109.449 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 117' ' ' LEU . 6.7 tt -63.9 -35.51 80.89 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.596 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -63.92 -49.55 72.21 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 59' ' ' MET . 67.9 t -63.35 -28.62 45.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' A' ' 120' ' ' ARG . 5.2 tmm_? -64.76 -48.14 75.65 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.272 -0.893 . . . . 0.0 109.121 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 121' ' ' LYS . 12.7 tmtt? -63.51 -35.76 81.53 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.538 -0.726 . . . . 0.0 109.321 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.654 ' CE2' HD11 ' A' ' 126' ' ' ILE . 67.2 t80 -61.03 -53.37 57.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.607 -0.683 . . . . 0.0 109.576 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -70.44 -22.32 62.71 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.673 -0.642 . . . . 0.0 110.404 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.77 -40.67 88.3 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.08 -36.2 77.35 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.654 HD11 ' CE2' ' A' ' 122' ' ' TYR . 59.4 mt -65.67 -36.45 77.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.8 m -68.56 -42.06 78.86 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.5 tt -69.43 -33.82 73.54 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.432 -0.793 . . . . 0.0 109.272 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.451 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 11.4 t80 -62.95 -38.47 91.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 109.196 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 66' ' ' LEU . 50.0 mt -68.26 -42.87 78.98 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -69.26 -23.44 63.85 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.304 -0.873 . . . . 0.0 109.871 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.34 -48.94 25.02 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.342 -0.849 . . . . 0.0 109.187 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' HB3' ' HB3' ' A' ' 136' ' ' SER . 14.6 mptt -83.43 3.89 30.0 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.701 -0.624 . . . . 0.0 109.709 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 59.04 43.6 17.37 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.499 -0.751 . . . . 0.0 109.659 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.6 m-85 58.22 49.38 11.31 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.619 0.723 . . . . 0.0 109.499 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.473 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.6 t -75.81 151.54 84.54 Favored Pre-proline 0 C--O 1.217 -0.654 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.473 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.7 Cg_endo -63.53 -29.32 70.61 Favored 'Trans proline' 0 C--N 1.351 0.71 0 O-C-N 123.693 1.365 . . . . 0.0 110.913 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.31 -39.07 49.19 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.406 -0.809 . . . . 0.0 108.882 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.55 -38.72 92.19 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.508 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 23.0 m95 -70.23 -34.22 72.6 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.546 -0.721 . . . . 0.0 109.536 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -64.45 -43.59 93.77 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.44 -0.788 . . . . 0.0 109.205 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.702 HG21 ' O ' ' A' ' 32' ' ' ASP . 75.8 t -66.76 -41.54 88.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 139' ' ' ALA . 88.5 t -68.0 -24.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.668 -0.645 . . . . 0.0 109.262 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.449 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 35.8 ttp85 -69.04 -48.68 62.28 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.246 -0.909 . . . . 0.0 108.746 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.51 -30.21 68.98 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.418 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 41.3 mm-40 -73.63 -33.81 64.71 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.553 -0.717 . . . . 0.0 109.878 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.7 mm -77.61 -33.47 19.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.2 ttm -72.52 -38.66 68.0 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -70.58 -46.69 62.99 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 121.62 -0.675 . . . . 0.0 109.264 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 80.6 p -62.0 -41.37 97.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.837 -0.539 . . . . 0.0 109.737 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.792 ' HB3' HD21 ' A' ' 15' ' ' LEU . 31.4 t80 -66.29 -41.92 89.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.461 -0.774 . . . . 0.0 109.404 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 156' ' ' ASN . 69.3 m -65.94 -34.55 78.37 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.474 -0.766 . . . . 0.0 109.45 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.433 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . 52.5 mt -68.01 -38.76 82.97 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.608 -0.683 . . . . 0.0 109.383 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.608 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.1 m -74.17 -27.26 60.74 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.216 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.64 HG21 ' CE1' ' A' ' 151' ' ' PHE . 74.8 p -101.02 0.66 38.48 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.354 -0.841 . . . . 0.0 110.777 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 152' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 109.709 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.621 ' CB ' HG21 ' A' ' 155' ' ' THR . 29.5 t . . . . . 0 C--O 1.213 -0.823 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -66.42 -37.77 85.95 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.305 -0.872 . . . . 0.0 109.413 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -74.18 -37.86 63.82 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.481 -0.762 . . . . 0.0 109.586 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.414 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 41.1 m -64.34 -43.07 95.76 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.443 -0.786 . . . . 0.0 109.113 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.907 HD23 HD12 ' A' ' 18' ' ' LEU . 80.6 mt -72.29 -29.98 64.38 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.557 -0.715 . . . . 0.0 109.273 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.79 -39.16 93.58 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.709 HD13 ' HA ' ' A' ' 84' ' ' PHE . 95.4 mt -61.98 -43.41 98.89 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.907 HD12 HD23 ' A' ' 15' ' ' LEU . 64.2 mt -59.19 -38.21 79.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.945 -0.472 . . . . 0.0 110.039 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.39 93.18 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.44 -0.787 . . . . 0.0 109.615 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.44 -32.84 72.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.415 -0.803 . . . . 0.0 109.843 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.484 ' HG3' ' HB3' ' A' ' 80' ' ' LEU . 18.5 mtp -66.67 -30.18 70.37 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.457 -0.777 . . . . 0.0 110.28 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -48.93 116.59 1.71 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 2.0 pttp -101.57 -36.57 8.73 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.811 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -114.53 170.49 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-O 121.538 0.685 . . . . 0.0 109.897 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -96.81 145.28 25.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.22 -33.23 73.14 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.514 -0.741 . . . . 0.0 109.014 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -66.98 -38.6 86.34 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.468 -0.77 . . . . 0.0 108.972 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.2 m -64.75 -29.93 70.92 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.032 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.811 ' SG ' HD12 ' A' ' 24' ' ' ILE . 9.6 m -113.78 55.87 0.71 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.63 -0.669 . . . . 0.0 109.823 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 46.6 mt -82.12 7.6 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.942 -1.099 . . . . 0.0 110.334 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -71.69 -35.44 70.25 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.208 -0.933 . . . . 0.0 108.742 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.607 ' O ' HG21 ' A' ' 142' ' ' VAL . 44.2 m-20 -114.87 30.11 7.57 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -74.91 116.03 15.17 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.427 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 32' ' ' ASP . 36.0 p80 -176.11 163.47 2.64 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.651 -0.655 . . . . 0.0 109.46 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -93.97 124.72 38.16 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 21.3 m-85 -60.79 -36.95 80.31 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.08 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.19 52.99 0.36 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.486 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.1 t80 -62.18 128.75 91.45 Favored Pre-proline 0 C--O 1.216 -0.668 0 O-C-N 121.689 -0.889 . . . . 0.0 108.946 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.486 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.9 Cg_endo -76.8 65.96 7.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 O-C-N 123.822 1.433 . . . . 0.0 110.695 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.621 ' HG3' HD22 ' A' ' 153' ' ' LEU . 2.8 tm0? -72.82 -14.51 61.53 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -59.07 -27.93 65.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 5.1 tp10 -99.16 29.25 3.99 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.532 -0.73 . . . . 0.0 109.067 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.635 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 32.2 m-85 . . . . . 0 C--O 1.219 -0.548 0 O-C-N 121.364 -0.835 . . . . 0.0 108.896 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.494 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.5 t . . . . . 0 C--O 1.212 -0.893 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.69 HG23 HD23 ' A' ' 95' ' ' LEU . 31.9 mt -53.38 -45.65 98.37 Favored Pre-proline 0 C--O 1.215 -0.73 0 O-C-N 121.108 -0.995 . . . . 0.0 110.586 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.93 -32.24 54.95 Favored 'Trans proline' 0 C--N 1.356 0.973 0 O-C-N 123.316 1.167 . . . . 0.0 110.633 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.763 ' HA ' HG12 ' A' ' 116' ' ' ILE . 76.7 t -71.74 -46.03 63.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 154' ' ' SER . 47.3 mt -59.86 -32.15 70.43 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.444 ' O ' HD21 ' A' ' 92' ' ' LEU . 60.3 t-80 -65.17 -53.16 49.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.685 -0.634 . . . . 0.0 109.738 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.25 -23.58 62.93 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.067 -1.021 . . . . 0.0 110.29 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.494 ' HG3' HG11 ' A' ' 119' ' ' VAL . 3.2 ttt -70.88 -45.54 64.18 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.191 -0.943 . . . . 0.0 108.744 178.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.584 HG23 ' CD2' ' A' ' 88' ' ' LEU . 30.1 mt -71.41 -25.31 24.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 121.524 -0.735 . . . . 0.0 109.484 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -72.09 -35.92 69.35 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -70.18 -39.47 75.23 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.444 HG23 ' CE1' ' A' ' 67' ' ' PHE . 83.2 mt -68.56 -31.55 51.56 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.577 ' HA ' HD13 ' A' ' 88' ' ' LEU . 25.9 t80 -62.04 -48.93 78.05 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.722 -0.611 . . . . 0.0 109.746 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.756 ' O ' HG23 ' A' ' 69' ' ' THR . 6.8 m120 -76.84 -33.68 57.9 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.2 tp -63.06 -31.91 73.16 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.314 -0.866 . . . . 0.0 109.235 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.5 m-85 -94.53 -24.19 17.37 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.685 -0.635 . . . . 0.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -80.8 -13.21 59.16 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.855 . . . . 0.0 110.473 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 65' ' ' ASN . 21.5 p -58.4 150.1 23.18 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.179 -0.95 . . . . 0.0 110.065 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.98 -22.48 62.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.759 -0.588 . . . . 0.0 110.006 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -78.38 -43.5 27.39 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.355 -0.841 . . . . 0.0 109.591 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 t -75.58 -30.84 59.75 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.405 -0.81 . . . . 0.0 109.593 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.1 m -65.54 -35.51 81.08 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.523 -0.736 . . . . 0.0 109.48 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.12 -24.9 34.88 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.58 73.29 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.475 -0.766 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 68.7 m95 -113.49 171.41 7.58 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.535 -0.728 . . . . 0.0 109.997 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -69.32 136.06 51.28 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.03 -28.33 68.78 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.588 -0.695 . . . . 0.0 110.598 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -78.1 -43.87 27.78 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.908 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.484 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 83.0 mt -64.34 -37.28 86.96 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.0 mt -72.51 -31.66 65.52 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -57.58 -54.33 48.12 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.81 -33.06 73.44 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.823 ' CE2' HD11 ' A' ' 88' ' ' LEU . 18.3 t80 -65.42 -34.41 78.23 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.771 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -71.4 -32.83 68.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 120.983 -1.073 . . . . 0.0 108.99 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -71.25 -40.66 70.87 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.507 -0.745 . . . . 0.0 109.619 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -73.4 -28.22 61.89 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.3 -0.875 . . . . 0.0 109.553 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.823 HD11 ' CE2' ' A' ' 84' ' ' PHE . 76.4 mt -73.61 -41.14 63.21 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.355 -0.84 . . . . 0.0 109.284 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -77.08 -29.97 55.25 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -73.76 -47.49 38.62 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.303 -0.873 . . . . 0.0 108.893 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.08 -29.66 70.79 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.444 HD21 ' O ' ' A' ' 57' ' ' HIS . 12.3 mt -67.99 -49.06 63.84 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.504 -0.747 . . . . 0.0 109.084 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -56.3 -38.51 71.35 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.703 -0.623 . . . . 0.0 109.693 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -67.74 -46.79 71.12 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 53' ' ' ILE . 52.4 mt . . . . . 0 C--O 1.216 -0.685 0 O-C-N 121.887 -0.508 . . . . 0.0 110.323 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 C--O 1.213 -0.826 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.424 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 2.3 p -63.0 -44.9 94.74 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.13 -0.981 . . . . 0.0 109.061 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.763 HG12 ' HA ' ' A' ' 55' ' ' VAL . 68.5 mt -71.08 -30.83 42.71 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 109.144 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 117' ' ' LEU . 1.8 tt -67.72 -29.78 69.11 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.414 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -69.45 -45.51 68.89 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.494 HG11 ' HG3' ' A' ' 59' ' ' MET . 49.2 t -67.56 -23.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 120' ' ' ARG . 10.8 tpt180 -70.9 -50.24 37.15 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -66.31 -24.78 66.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.508 -0.745 . . . . 0.0 109.139 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.417 ' O ' HG13 ' A' ' 126' ' ' ILE . 31.2 t80 -69.66 -50.05 47.79 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.468 ' HA ' HD12 ' A' ' 126' ' ' ILE . 9.1 m-85 -69.56 -24.23 63.67 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.794 -0.566 . . . . 0.0 109.835 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -66.41 -41.08 89.81 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.41 -38.3 90.63 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.478 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 62.3 mt -63.35 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.416 HG22 ' HE2' ' A' ' 131' ' ' LYS . 12.9 m -65.93 -37.07 85.09 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.589 -0.695 . . . . 0.0 109.396 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 128' ' ' LEU . 14.8 tp -65.76 -43.11 89.86 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 121.554 -0.716 . . . . 0.0 109.208 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.417 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -62.5 -32.83 73.8 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.667 -0.646 . . . . 0.0 109.808 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.511 HD22 ' CE2' ' A' ' 140' ' ' TRP . 44.1 mt -73.81 -34.11 64.46 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.522 -0.736 . . . . 0.0 109.639 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.416 ' HE2' HG22 ' A' ' 127' ' ' THR . 54.7 mtmt -81.64 -19.93 40.73 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.99 -1.068 . . . . 0.0 109.482 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -79.98 -47.87 14.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.367 -0.833 . . . . 0.0 109.144 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 5.5 mptp? -82.18 2.8 29.9 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.632 -0.667 . . . . 0.0 109.516 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 59.67 40.38 20.0 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.295 -0.878 . . . . 0.0 109.686 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 88.3 m-85 58.66 51.46 7.77 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.379 0.609 . . . . 0.0 110.06 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.474 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 11.4 m -80.69 163.06 58.1 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.469 -0.769 . . . . 0.0 109.516 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.547 ' O ' HD11 ' A' ' 24' ' ' ILE . 41.4 Cg_endo -68.87 -36.16 14.05 Favored 'Trans proline' 0 C--N 1.349 0.597 0 O-C-N 123.765 1.403 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 16.6 m -68.55 -42.58 78.19 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.476 -0.765 . . . . 0.0 109.145 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.63 -39.64 94.87 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.56 -0.713 . . . . 0.0 109.204 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.511 ' CE2' HD22 ' A' ' 130' ' ' LEU . 21.7 m95 -69.21 -38.24 78.46 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.517 -0.739 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.438 ' CG ' HG13 ' A' ' 24' ' ' ILE . 13.3 tp10 -65.69 -39.44 91.28 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 32' ' ' ASP . 44.5 t -64.08 -38.91 83.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.702 ' HA ' ' HG2' ' A' ' 146' ' ' GLU . 87.7 t -74.05 -21.33 17.86 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.803 ' NH1' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.38 -52.3 41.69 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.841 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.62 65.93 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.702 ' HG2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -75.74 -35.49 60.2 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.559 -0.713 . . . . 0.0 109.73 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.626 ' N ' ' HG3' ' A' ' 146' ' ' GLU . 22.0 mm -81.22 -31.44 11.74 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 121.371 -0.831 . . . . 0.0 109.276 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.429 ' CG ' ' HB3' ' A' ' 18' ' ' LEU . 47.1 mtp -70.17 -43.08 71.53 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -39.56 58.58 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.491 -0.756 . . . . 0.0 109.991 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.412 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 72.6 m -68.75 -38.81 80.39 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.447 -0.783 . . . . 0.0 109.978 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.817 ' HB3' HD21 ' A' ' 15' ' ' LEU . 28.6 t80 -69.21 -35.24 76.01 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 109.124 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.0 t -69.09 -38.86 79.21 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.621 HD22 ' HG3' ' A' ' 40' ' ' GLN . 47.4 mt -64.25 -39.27 93.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.593 ' HB3' HD22 ' A' ' 56' ' ' LEU . 3.7 m -70.63 -31.49 68.47 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.774 -0.579 . . . . 0.0 110.112 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.621 HG21 ' CB ' ' A' ' 11' ' ' SER . 82.1 p -93.62 -0.37 56.18 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.317 -0.864 . . . . 0.0 110.062 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.542 0.639 0 O-C-N 121.101 -1.0 . . . . 0.0 110.104 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.54 ' HB2' HG21 ' A' ' 155' ' ' THR . 31.4 t . . . . . 0 C--O 1.213 -0.843 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -65.22 -33.4 75.9 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.424 -0.798 . . . . 0.0 109.809 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -72.24 -40.92 67.37 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.28 -0.887 . . . . 0.0 109.055 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -61.15 -42.42 98.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 151' ' ' PHE . 92.2 mt -70.58 -30.9 67.71 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ttp -63.39 -34.81 78.55 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 84' ' ' PHE . 78.5 mt -64.51 -42.6 95.7 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.767 HD12 HD23 ' A' ' 15' ' ' LEU . 65.0 mt -59.58 -30.35 68.59 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 109.554 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.63 -34.58 65.06 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.296 -0.877 . . . . 0.0 109.44 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.05 -46.33 71.42 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.413 -0.805 . . . . 0.0 109.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.4 ptp -62.0 -26.03 67.99 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.467 -0.77 . . . . 0.0 110.317 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -49.76 110.83 0.42 Allowed 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.448 -0.782 . . . . 0.0 109.514 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 4.7 mtpp -94.02 -38.67 11.03 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.894 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.6 pt -111.94 167.13 5.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 121.526 0.679 . . . . 0.0 109.791 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.6 m -91.17 143.21 26.91 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 30' ' ' LEU . 63.9 tp -59.24 -37.62 78.01 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.766 ' HA ' HD13 ' A' ' 30' ' ' LEU . 94.2 m-85 -60.19 -41.73 93.56 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 t -58.76 -31.01 67.97 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.894 ' SG ' HD12 ' A' ' 24' ' ' ILE . 67.3 m -104.3 51.73 0.77 Allowed 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.701 -0.624 . . . . 0.0 109.788 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.766 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -86.81 12.24 11.39 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.328 -0.858 . . . . 0.0 110.063 179.288 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -103.66 -22.54 13.56 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.2 -0.937 . . . . 0.0 109.608 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.707 ' O ' HG21 ' A' ' 142' ' ' VAL . 79.7 m-20 -112.17 24.49 12.54 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -78.01 101.92 7.15 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.945 -1.097 . . . . 0.0 110.076 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -130.22 117.51 19.98 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -72.51 138.87 47.25 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.502 -0.749 . . . . 0.0 109.461 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 44.9 m-85 -89.98 -44.79 9.63 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.31 72.71 0.5 Allowed Glycine 0 CA--C 1.532 1.143 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.1 t80 -69.98 131.93 88.81 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.513 -0.992 . . . . 0.0 109.042 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.8 Cg_endo -84.62 75.61 3.68 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 O-C-N 123.749 1.394 . . . . 0.0 111.195 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 41.4 tt0 -77.65 -15.87 58.91 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.215 -0.928 . . . . 0.0 109.358 178.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -57.63 -32.17 66.98 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.183 -0.948 . . . . 0.0 109.279 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.8 tp10 -97.34 40.1 1.17 Allowed 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.3 m-85 . . . . . 0 C--O 1.212 -0.903 0 O-C-N 121.311 -0.868 . . . . 0.0 109.06 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.553 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 1.6 p . . . . . 0 C--O 1.208 -1.129 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.757 HG23 HD23 ' A' ' 95' ' ' LEU . 58.7 mt -44.86 -49.22 28.74 Favored Pre-proline 0 C--O 1.215 -0.751 0 O-C-N 121.346 -0.847 . . . . 0.0 111.4 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.0 Cg_endo -64.08 -36.99 45.05 Favored 'Trans proline' 0 C--N 1.355 0.872 0 O-C-N 123.104 1.054 . . . . 0.0 110.608 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.695 ' HA ' HG12 ' A' ' 116' ' ' ILE . 38.9 t -70.11 -37.66 72.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.627 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 29.4 mt -67.9 -29.99 69.22 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -68.01 -50.58 54.69 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.534 -0.729 . . . . 0.0 109.464 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.617 ' HG2' HG21 ' A' ' 116' ' ' ILE . 16.3 tp10 -71.62 -29.12 64.3 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.155 -0.966 . . . . 0.0 109.778 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.9 ttt -66.18 -47.73 73.0 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.2 -0.937 . . . . 0.0 109.064 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.634 HG23 ' CD2' ' A' ' 88' ' ' LEU . 13.6 mt -67.87 -24.97 31.32 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 121.504 -0.747 . . . . 0.0 109.423 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -35.74 64.67 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -68.7 -39.27 80.59 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 121.54 -0.725 . . . . 0.0 109.217 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.577 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.5 mt -71.07 -33.78 52.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.623 ' HA ' HD13 ' A' ' 88' ' ' LEU . 54.5 t80 -59.6 -42.71 93.2 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.587 -0.696 . . . . 0.0 109.704 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.731 ' O ' HG23 ' A' ' 69' ' ' THR . 21.0 t-20 -79.59 -42.41 25.05 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.616 -0.677 . . . . 0.0 109.908 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD11 HD11 ' A' ' 130' ' ' LEU . 32.5 tp -55.61 -32.45 63.13 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.468 -0.77 . . . . 0.0 109.518 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.577 ' CE1' HG23 ' A' ' 63' ' ' ILE . 16.2 m-85 -94.44 -27.95 15.75 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.493 -0.755 . . . . 0.0 109.891 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.7 t -74.27 -19.47 60.48 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.284 -0.885 . . . . 0.0 110.246 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 65' ' ' ASN . 28.3 p -54.57 148.57 12.11 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.728 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -61.99 -22.09 65.39 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.568 -0.707 . . . . 0.0 110.08 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -75.76 -42.66 49.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.414 -0.804 . . . . 0.0 109.388 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.4 t -78.65 -30.7 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.495 -0.753 . . . . 0.0 109.835 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 74.2 m -64.44 -34.98 79.45 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.44 -0.788 . . . . 0.0 109.123 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.8 -25.52 30.35 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -68.24 -31.86 71.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.157 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -120.19 177.47 5.0 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.444 -0.785 . . . . 0.0 109.747 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.41 135.26 42.38 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.286 -0.884 . . . . 0.0 108.632 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -66.07 -27.79 68.34 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.412 -0.805 . . . . 0.0 110.566 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.8 m -78.38 -44.44 24.99 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.066 -1.021 . . . . 0.0 108.864 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.57 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.453 HD21 ' HE1' ' A' ' 21' ' ' MET . 11.4 mt -71.25 -32.87 69.26 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -55.69 -52.38 64.07 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.87 -33.21 75.19 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.719 ' CE2' HD11 ' A' ' 88' ' ' LEU . 19.3 t80 -64.64 -33.18 75.32 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.692 -0.63 . . . . 0.0 109.482 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -72.16 -37.91 69.27 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.326 -0.859 . . . . 0.0 109.367 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -68.33 -39.95 81.75 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.614 -0.679 . . . . 0.0 109.669 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.567 ' HG3' HD11 ' A' ' 17' ' ' LEU . 56.3 mm-40 -72.41 -31.81 65.82 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.283 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.719 HD11 ' CE2' ' A' ' 84' ' ' PHE . 55.0 mt -67.4 -43.08 82.16 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.497 -0.752 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.546 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -77.88 -24.76 48.35 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.361 -0.837 . . . . 0.0 110.127 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -68.37 -49.99 56.25 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -66.39 -27.94 68.24 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 19.9 mt -69.37 -36.38 76.77 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.457 -0.777 . . . . 0.0 109.453 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -69.27 -43.18 74.45 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.336 -0.852 . . . . 0.0 109.23 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -64.52 -43.72 93.16 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.565 -0.709 . . . . 0.0 109.22 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.757 HD23 HG23 ' A' ' 53' ' ' ILE . 77.1 mt . . . . . 0 C--O 1.217 -0.628 0 O-C-N 121.848 -0.532 . . . . 0.0 109.821 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 28.4 t0 . . . . . 0 C--O 1.213 -0.816 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.562 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 46.4 t -61.47 -48.75 79.68 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.003 -1.061 . . . . 0.0 108.327 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.695 HG12 ' HA ' ' A' ' 55' ' ' VAL . 69.7 mt -64.79 -34.07 67.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 117' ' ' LEU . 63.0 mt -66.73 -30.72 71.02 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.597 -0.69 . . . . 0.0 109.462 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.481 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.49 -44.46 78.46 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.36 -28.62 44.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -68.02 -44.21 77.04 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -67.45 -35.66 79.65 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 126' ' ' ILE . 84.0 t80 -62.36 -50.66 70.7 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.702 -0.624 . . . . 0.0 109.418 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -68.74 -27.75 66.19 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.689 -0.632 . . . . 0.0 110.243 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -64.0 -40.55 96.61 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 tpp85 -68.18 -36.15 79.16 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.793 HD11 ' CE2' ' A' ' 122' ' ' TYR . 62.1 mt -63.25 -38.63 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -64.14 -43.55 94.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.547 -0.721 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.499 HD12 ' HE3' ' A' ' 131' ' ' LYS . 17.1 tp -63.06 -40.06 96.58 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.509 -0.745 . . . . 0.0 109.011 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -57.96 -43.99 86.75 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.331 0.586 . . . . 0.0 109.525 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.497 HD11 HD11 ' A' ' 66' ' ' LEU . 52.7 mt -64.92 -40.38 94.98 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.499 ' HE3' HD12 ' A' ' 128' ' ' LEU . 55.9 mtmt -72.65 -21.98 61.01 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.184 -0.948 . . . . 0.0 109.92 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -48.54 21.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.256 -0.902 . . . . 0.0 109.32 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -82.65 3.07 30.44 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 109.706 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 59.79 39.24 20.97 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.359 -0.838 . . . . 0.0 109.655 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.3 m-85 60.24 52.53 4.89 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.706 -0.621 . . . . 0.0 109.747 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.462 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 18.0 m -77.06 162.7 68.88 Favored Pre-proline 0 C--O 1.218 -0.594 0 O-C-N 121.494 -0.754 . . . . 0.0 109.179 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.9 Cg_endo -69.27 -42.15 4.19 Favored 'Trans proline' 0 C--N 1.348 0.545 0 O-C-N 123.727 1.383 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.9 -35.7 77.16 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.448 -0.783 . . . . 0.0 109.043 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -62.64 -39.32 93.47 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.553 -0.717 . . . . 0.0 109.214 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.476 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 28.9 m95 -72.09 -33.71 68.08 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.496 -0.752 . . . . 0.0 110.091 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.589 ' CG ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -66.3 -40.57 90.08 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.186 -0.946 . . . . 0.0 108.604 178.732 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.707 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.0 t -63.31 -43.81 98.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 139' ' ' ALA . 58.3 t -68.7 -24.96 29.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.437 ' C ' ' HD2' ' A' ' 144' ' ' ARG . 6.1 tmm_? -67.89 -48.6 65.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.279 -0.888 . . . . 0.0 108.704 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.57 75.65 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.47 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 30.2 mm-40 -67.19 -37.35 83.52 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.608 -0.682 . . . . 0.0 109.721 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 143' ' ' VAL . 19.8 mm -74.8 -36.18 38.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 109.192 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.575 ' HA ' HD22 ' A' ' 15' ' ' LEU . 30.9 ttm -62.8 -45.83 90.81 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.401 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 17.2 ttt85 -67.76 -52.48 36.81 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 121.851 -0.53 . . . . 0.0 110.009 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 153' ' ' LEU . 66.8 m -55.7 -45.29 77.87 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.955 -0.466 . . . . 0.0 110.57 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.908 ' HB3' HD21 ' A' ' 15' ' ' LEU . 29.1 t80 -65.53 -34.6 78.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.527 -0.733 . . . . 0.0 109.906 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.3 t -74.1 -31.69 62.9 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.367 -0.833 . . . . 0.0 109.353 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 150' ' ' SER . 46.3 mt -69.87 -37.23 76.02 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.522 -0.736 . . . . 0.0 109.083 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.627 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 48.2 m -73.64 -36.82 65.45 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 109.813 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 11' ' ' SER . 81.5 p -88.35 -3.22 58.88 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.439 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 . . . . . 0 C--O 1.215 -0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.329 179.381 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.628 ' CB ' HG21 ' A' ' 155' ' ' THR . 80.0 p . . . . . 0 C--O 1.215 -0.739 0 CA-C-O 120.721 0.296 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -63.07 -40.18 96.9 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -74.4 -43.08 57.93 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.463 -0.773 . . . . 0.0 109.951 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.1 m -58.96 -44.94 91.59 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.432 -0.792 . . . . 0.0 109.651 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.89 HD21 ' HB3' ' A' ' 151' ' ' PHE . 81.1 mt -68.25 -33.3 74.13 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.623 -0.673 . . . . 0.0 109.412 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -62.57 -39.46 93.76 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 84' ' ' PHE . 60.9 mt -60.84 -44.76 96.52 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 HD23 ' A' ' 15' ' ' LEU . 73.2 mt -58.95 -38.87 80.02 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.737 -0.602 . . . . 0.0 109.824 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.62 93.77 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.51 -0.744 . . . . 0.0 109.826 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.04 -32.7 74.13 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.467 -0.771 . . . . 0.0 110.228 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.423 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 17.7 mtm -68.09 -29.09 67.94 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.298 -0.876 . . . . 0.0 110.592 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -49.82 111.22 0.48 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.463 -0.773 . . . . 0.0 109.663 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 1.0 OUTLIER -94.35 -38.82 10.79 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.406 0.622 . . . . 0.0 109.444 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.932 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -114.25 170.44 4.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-O 121.575 0.703 . . . . 0.0 110.595 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.5 m -91.51 143.54 26.49 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' O ' HD13 ' A' ' 30' ' ' LEU . 44.0 tp -60.72 -35.92 77.54 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.602 -0.686 . . . . 0.0 109.498 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.715 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 77.8 m-85 -65.76 -38.95 90.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -61.73 -26.87 68.33 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.932 ' SG ' HD12 ' A' ' 24' ' ' ILE . 37.4 m -105.86 51.91 0.74 Allowed 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.566 -0.709 . . . . 0.0 109.767 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.715 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.83 9.0 8.8 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.188 -0.945 . . . . 0.0 109.957 178.464 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -87.65 -28.98 21.52 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.159 -0.963 . . . . 0.0 109.537 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.743 ' O ' HG21 ' A' ' 142' ' ' VAL . 90.4 m-20 -114.55 21.92 14.09 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.608 -0.682 . . . . 0.0 109.864 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 33.2 tpt85 -66.4 108.56 2.41 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.994 -1.066 . . . . 0.0 109.55 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -150.34 140.07 21.72 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.195 0.522 . . . . 0.0 109.762 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -98.76 138.71 35.53 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -85.71 -42.16 14.5 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 109.705 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.33 43.95 1.42 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 58.2 t80 -43.02 134.64 3.01 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 121.693 -0.886 . . . . 0.0 110.456 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.606 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 56.6 Cg_endo -80.93 81.41 2.74 Favored 'Trans proline' 0 C--N 1.356 0.951 0 O-C-N 123.679 1.357 . . . . 0.0 110.871 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.0 OUTLIER -82.45 -19.99 37.84 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.21 -0.931 . . . . 0.0 109.775 179.193 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.0 -31.47 41.15 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.387 -0.821 . . . . 0.0 109.516 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 0.9 OUTLIER -101.38 46.72 0.93 Allowed 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.67 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 10.8 m-85 . . . . . 0 C--O 1.215 -0.762 0 O-C-N 121.339 -0.851 . . . . 0.0 109.199 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 13.0 t . . . . . 0 C--O 1.212 -0.915 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.625 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 mt -51.38 -44.62 89.17 Favored Pre-proline 0 C--O 1.213 -0.848 0 O-C-N 121.129 -0.982 . . . . 0.0 110.617 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.5 -31.45 51.06 Favored 'Trans proline' 0 C--N 1.357 0.987 0 O-C-N 123.23 1.121 . . . . 0.0 110.669 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.681 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.8 t -73.75 -42.01 54.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 121.374 -0.829 . . . . 0.0 108.769 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.619 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.8 mt -64.77 -34.57 78.65 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CD2' HD23 ' A' ' 92' ' ' LEU . 59.8 t-80 -64.0 -51.41 64.37 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.639 -0.663 . . . . 0.0 109.489 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -26.85 65.75 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.235 -0.916 . . . . 0.0 109.339 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -67.32 -38.84 85.59 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.656 HG21 ' HG ' ' A' ' 92' ' ' LEU . 7.1 mm -65.38 -33.55 64.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -70.2 -39.09 75.38 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.6 -0.688 . . . . 0.0 109.652 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.46 -43.02 82.09 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.607 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.2 mt -71.95 -27.45 27.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.539 ' HA ' HD13 ' A' ' 88' ' ' LEU . 20.9 t80 -64.74 -44.95 88.49 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.353 -0.842 . . . . 0.0 109.392 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 69' ' ' THR . 67.2 m-20 -77.73 -38.73 46.45 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.833 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.536 HD11 HD11 ' A' ' 130' ' ' LEU . 52.0 tp -58.71 -32.07 68.84 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.695 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.607 ' CE1' HG23 ' A' ' 63' ' ' ILE . 9.2 m-85 -97.22 -25.13 15.39 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.507 -0.745 . . . . 0.0 110.043 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.2 t -73.6 -20.48 60.59 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.317 -0.865 . . . . 0.0 110.172 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 65' ' ' ASN . 31.9 p -54.87 145.94 18.68 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.286 -0.883 . . . . 0.0 109.869 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.8 -26.43 65.74 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.651 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.4 m-20 -70.3 -43.88 69.47 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.459 -0.776 . . . . 0.0 109.416 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.483 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.2 t -75.54 -31.86 60.24 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.472 -0.768 . . . . 0.0 109.796 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.9 m -63.54 -36.59 84.3 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.565 -0.709 . . . . 0.0 109.399 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.25 -25.43 34.1 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.74 -30.74 68.41 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.517 -0.739 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 71.4 m95 -121.65 171.03 9.14 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.427 -0.795 . . . . 0.0 110.036 -178.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 131.21 46.0 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.41 -25.65 68.11 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 121.46 -0.775 . . . . 0.0 110.367 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.6 m -79.67 -44.28 21.19 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.137 -0.977 . . . . 0.0 108.74 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 96.4 mt -62.98 -38.85 92.79 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -71.29 -33.33 69.62 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -55.65 -52.95 62.09 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 83' ' ' LYS . 52.6 mtpt -63.71 -31.81 73.1 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 88' ' ' LEU . 17.2 t80 -68.54 -28.77 67.27 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 121.735 -0.603 . . . . 0.0 109.807 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.483 ' OH ' HD13 ' A' ' 81' ' ' LEU . 25.9 m-85 -77.32 -52.93 8.34 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.025 -1.047 . . . . 0.0 109.236 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.5 m -63.41 -29.42 70.71 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.729 -0.607 . . . . 0.0 109.736 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 90' ' ' GLN . 2.5 tt0 -76.98 -32.91 57.59 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.43 -0.794 . . . . 0.0 109.501 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 84' ' ' PHE . 53.5 mt -70.88 -38.42 73.07 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.473 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 14.0 t80 -77.28 -37.74 52.23 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 110.261 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 87' ' ' GLU . 3.3 pt20 -67.63 -38.19 83.54 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 120.984 -1.073 . . . . 0.0 108.59 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -70.27 -30.25 67.23 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.656 ' HG ' HG21 ' A' ' 60' ' ' ILE . 9.6 mt -67.81 -33.38 74.68 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.31 -40.99 70.45 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.427 -0.796 . . . . 0.0 109.311 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 -40.82 81.69 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.358 -0.838 . . . . 0.0 109.388 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--O 1.216 -0.66 0 O-C-N 121.642 -0.661 . . . . 0.0 109.304 178.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.64 0.257 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.565 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 23.4 t -72.66 -46.8 52.08 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.155 -0.965 . . . . 0.0 109.705 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.681 HG12 ' HA ' ' A' ' 55' ' ' VAL . 73.6 mt -67.93 -35.18 71.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 O-C-N 121.433 -0.792 . . . . 0.0 109.053 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 117' ' ' LEU . 2.5 tt -61.31 -37.51 83.48 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.95 75.82 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.445 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 23.0 t -66.01 -23.14 31.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -73.55 -45.2 54.95 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.256 -0.902 . . . . 0.0 110.01 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -74.34 -29.47 61.61 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.445 -0.784 . . . . 0.0 109.427 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 126' ' ' ILE . 4.3 m-85 -76.43 -35.57 58.45 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.469 -0.77 . . . . 0.0 109.619 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -73.65 -31.07 63.31 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.92 -43.08 99.59 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -61.22 -42.15 98.1 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 122' ' ' TYR . 64.5 mt -59.97 -36.89 69.82 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 O-C-N 121.64 -0.663 . . . . 0.0 109.395 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.2 m -65.04 -43.63 91.7 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.513 -0.742 . . . . 0.0 109.459 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.0 mm? -68.08 -30.98 70.3 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.451 -0.781 . . . . 0.0 109.378 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -62.24 -40.5 96.39 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.536 HD11 HD11 ' A' ' 66' ' ' LEU . 75.8 mt -65.71 -46.39 79.15 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.39 -25.04 67.85 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.035 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.75 -50.35 36.96 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.349 -0.845 . . . . 0.0 109.357 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.485 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.2 mptt -82.8 5.09 22.72 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.684 -0.635 . . . . 0.0 109.81 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 61.75 42.09 11.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.504 -0.747 . . . . 0.0 109.793 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 87.5 m-85 57.87 51.31 9.25 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.612 0.72 . . . . 0.0 109.563 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.1 t -76.52 148.96 80.78 Favored Pre-proline 0 C--O 1.215 -0.722 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.96 -30.39 57.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 O-C-N 123.725 1.381 . . . . 0.0 110.748 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -43.71 54.24 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.447 -0.783 . . . . 0.0 108.982 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.89 -33.58 76.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.623 -0.673 . . . . 0.0 109.266 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 11.1 m95 -66.61 -36.34 82.37 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.514 -0.741 . . . . 0.0 109.671 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.5 -31.88 69.16 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.309 -0.869 . . . . 0.0 109.154 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.743 HG21 ' O ' ' A' ' 32' ' ' ASP . 65.3 t -64.09 -41.56 92.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 147' ' ' ILE . 67.6 t -74.07 -24.61 19.42 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.5 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 26.6 ttp85 -68.46 -47.68 66.5 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.195 -0.94 . . . . 0.0 108.719 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 149' ' ' ARG . . . -68.05 -32.17 72.34 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.84 -30.95 62.96 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.617 -0.677 . . . . 0.0 109.975 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.6 mm -78.58 -34.53 17.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.136 -0.977 . . . . 0.0 109.253 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.57 ' HG3' HD22 ' A' ' 15' ' ' LEU . 29.4 ttm -74.7 -37.65 62.57 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.461 ' CZ ' HD11 ' A' ' 153' ' ' LEU . 1.6 tmm_? -73.09 -43.09 62.28 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.539 -0.726 . . . . 0.0 109.275 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.535 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 75.0 m -65.58 -40.54 92.86 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.89 ' HB3' HD21 ' A' ' 15' ' ' LEU . 44.6 t80 -66.7 -40.12 88.36 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -65.21 -37.55 87.64 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.569 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 71.0 mt -64.42 -40.38 95.65 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.602 -0.686 . . . . 0.0 109.312 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.9 m -72.5 -25.84 61.56 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.655 -0.653 . . . . 0.0 110.126 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.628 HG21 ' CB ' ' A' ' 11' ' ' SER . 44.1 p -101.82 2.13 37.93 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.215 -0.713 0 O-C-N 121.217 -0.927 . . . . 0.0 110.742 179.581 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.637 ' HB2' HG21 ' A' ' 155' ' ' THR . 74.7 p . . . . . 0 C--O 1.215 -0.731 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -64.35 -37.76 88.66 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.381 -0.825 . . . . 0.0 109.639 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -75.99 -40.11 54.41 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.36 -0.838 . . . . 0.0 109.941 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.7 m -62.75 -42.22 99.57 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.324 -0.86 . . . . 0.0 109.51 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 18' ' ' LEU . 46.9 mt -69.68 -32.82 71.66 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.566 -0.708 . . . . 0.0 109.156 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.7 ttp -64.35 -37.03 86.05 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 84' ' ' PHE . 94.3 mt -64.31 -39.52 94.09 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.658 ' HG ' ' CE2' ' A' ' 84' ' ' PHE . 12.3 mt -59.26 -36.63 75.85 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.78 73.58 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.48 -0.762 . . . . 0.0 109.92 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -66.0 -43.42 87.78 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.019 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.574 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 28.2 mtm -64.53 -27.42 68.96 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.413 -0.804 . . . . 0.0 110.111 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.07 98.79 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.382 0.61 . . . . 0.0 109.852 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -84.35 -43.54 14.64 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.917 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.7 pt -108.83 168.37 3.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-O 121.372 0.606 . . . . 0.0 109.552 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.8 m -100.59 157.45 16.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.548 -0.72 . . . . 0.0 109.705 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD11 ' HG3' ' A' ' 33' ' ' ARG . 61.5 tp -65.12 -29.67 70.54 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HA ' ' CG ' ' A' ' 30' ' ' LEU . 90.8 m-85 -67.37 -37.54 83.34 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -67.63 -30.07 69.55 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.389 -0.819 . . . . 0.0 108.975 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.917 ' SG ' HD12 ' A' ' 24' ' ' ILE . 60.3 m -112.36 54.26 0.71 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.541 -0.724 . . . . 0.0 109.985 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 75.6 mt -86.79 1.21 53.05 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.952 -1.093 . . . . 0.0 110.49 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 27.3 tptp -84.22 -29.76 26.29 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.19 -0.944 . . . . 0.0 109.527 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' HA ' ' A' ' 139' ' ' ALA . 2.1 p-10 -107.58 16.19 24.0 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.47 -0.769 . . . . 0.0 110.777 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' HD11 ' A' ' 26' ' ' LEU . 23.3 ttm180 -71.99 119.06 15.64 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 120.604 -1.31 . . . . 0.0 109.676 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -137.8 129.35 28.15 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.3 113.68 6.86 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.51 -0.744 . . . . 0.0 109.243 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 76.3 m-85 -71.82 -42.16 67.34 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.541 -0.725 . . . . 0.0 109.254 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.45 61.85 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.627 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 69.3 t80 -70.06 128.48 91.58 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.467 -1.019 . . . . 0.0 108.543 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.4 Cg_endo -77.83 64.62 8.22 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 O-C-N 123.718 1.378 . . . . 0.0 111.13 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.719 ' HG3' HD22 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -72.35 -21.0 61.37 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.304 178.282 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.45 -33.51 65.96 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.379 -0.825 . . . . 0.0 108.929 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -97.66 29.9 3.16 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.406 -0.809 . . . . 0.0 109.21 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 5.0 m-85 . . . . . 0 C--O 1.218 -0.587 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.458 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 5.6 t . . . . . 0 C--O 1.213 -0.851 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.663 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 47.5 mt -58.3 -41.98 92.38 Favored Pre-proline 0 C--O 1.213 -0.861 0 O-C-N 120.94 -1.1 . . . . 0.0 109.96 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -66.09 -29.17 48.43 Favored 'Trans proline' 0 C--N 1.358 1.03 0 O-C-N 123.131 1.069 . . . . 0.0 110.221 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.653 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.46 -41.65 49.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.591 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 43.4 mt -65.39 -37.19 86.24 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -61.89 -47.95 82.66 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.675 -0.641 . . . . 0.0 109.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.951 ' HG3' HD13 ' A' ' 116' ' ' ILE . 61.2 mm-40 -69.63 -28.51 65.97 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.532 -0.73 . . . . 0.0 109.539 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 ttt -68.19 -36.79 80.13 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.372 -0.83 . . . . 0.0 109.068 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.736 HG21 ' HG ' ' A' ' 92' ' ' LEU . 9.0 mm -67.7 -37.61 78.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -71.35 -34.59 70.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.53 -0.731 . . . . 0.0 109.74 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -69.8 -43.89 71.19 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.33 -0.856 . . . . 0.0 109.223 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 67' ' ' PHE . 91.7 mt -69.27 -29.8 43.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.683 ' HA ' HD13 ' A' ' 88' ' ' LEU . 55.8 t80 -61.99 -43.93 97.8 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.389 -0.819 . . . . 0.0 109.821 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 69' ' ' THR . 53.9 t30 -78.17 -39.55 40.54 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.53 -0.732 . . . . 0.0 109.865 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 130' ' ' LEU . 40.5 tp -60.0 -30.36 69.09 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.371 -0.831 . . . . 0.0 109.606 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 63' ' ' ILE . 7.3 m-85 -98.11 -15.76 19.83 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.572 -0.705 . . . . 0.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.9 t -85.03 -17.26 38.06 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.154 -0.966 . . . . 0.0 109.651 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 65' ' ' ASN . 7.0 p -54.83 147.82 14.32 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.432 -0.792 . . . . 0.0 110.214 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.01 -24.57 67.98 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.59 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.62 -38.27 55.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.528 -0.732 . . . . 0.0 109.511 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.525 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 87.7 p -78.05 -32.23 50.75 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.489 -0.757 . . . . 0.0 109.79 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 69.4 m -66.75 -35.53 80.31 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.678 -0.638 . . . . 0.0 109.494 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.86 36.81 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.6 -0.687 . . . . 0.0 109.152 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.69 67.87 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.524 -0.735 . . . . 0.0 110.33 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.499 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 77.7 m95 -111.05 174.08 6.03 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.633 -0.667 . . . . 0.0 110.055 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.26 131.05 44.67 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -63.95 -28.28 69.71 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.381 -0.824 . . . . 0.0 110.39 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.8 m -76.65 -45.39 30.08 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.269 -0.894 . . . . 0.0 108.92 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.574 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 91.6 mt -63.21 -38.5 91.4 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.56 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 9.7 mt -69.47 -32.96 72.19 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.97 -49.49 75.56 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' HE2' ' N ' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -65.5 -30.06 70.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.383 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -64.83 -41.75 95.49 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.391 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.24 -37.61 85.92 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 109.409 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -38.63 81.48 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.627 -0.67 . . . . 0.0 109.835 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.423 ' HG3' HD11 ' A' ' 17' ' ' LEU . 64.8 mm-40 -74.29 -27.42 60.72 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.683 HD13 ' HA ' ' A' ' 64' ' ' PHE . 71.5 mt -74.17 -40.32 62.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.405 -0.81 . . . . 0.0 109.341 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -36.49 61.76 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.383 -0.823 . . . . 0.0 110.237 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -73.3 -42.65 62.15 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.216 -0.927 . . . . 0.0 109.374 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.63 -27.73 67.92 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.414 -0.804 . . . . 0.0 108.924 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.736 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.5 mt -66.41 -48.15 70.97 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.75 -40.31 87.7 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.808 -0.557 . . . . 0.0 109.818 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.21 -45.74 86.95 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.263 -0.898 . . . . 0.0 108.673 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.427 HD12 HG13 ' A' ' 60' ' ' ILE . 57.8 mt . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--O 1.216 -0.681 0 CA-C-O 120.87 0.367 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.447 ' OG ' HG22 ' A' ' 55' ' ' VAL . 2.4 p -65.5 -45.88 81.86 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.963 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.951 HD13 ' HG3' ' A' ' 58' ' ' GLU . 68.0 mt -68.11 -28.02 39.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 121.509 -0.744 . . . . 0.0 109.292 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 117' ' ' LEU . 9.3 tt -68.52 -35.8 77.98 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.552 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.41 -47.18 80.14 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.17 -24.5 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -70.75 -43.75 68.19 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.33 -0.856 . . . . 0.0 109.72 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -73.14 -30.55 63.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.415 -0.803 . . . . 0.0 108.941 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.547 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 45.8 t80 -65.32 -49.17 70.45 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -69.95 -29.76 66.97 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.689 -0.632 . . . . 0.0 110.003 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -61.19 -42.96 99.5 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' A' ' 125' ' ' ARG . 22.0 tpp180 -66.12 -38.1 87.34 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.705 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 58.4 mt -60.21 -37.22 72.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 O-C-N 121.57 -0.706 . . . . 0.0 109.186 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -36.94 80.47 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.487 -0.758 . . . . 0.0 109.25 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 128' ' ' LEU . 23.6 tp -64.87 -47.25 78.57 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.438 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 24.4 t80 -59.56 -36.42 76.17 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.61 -0.681 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.418 ' CD1' HD11 ' A' ' 66' ' ' LEU . 60.0 mt -67.16 -41.86 85.28 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.06 -19.25 60.67 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.327 -0.858 . . . . 0.0 109.713 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.5 -48.04 20.8 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.31 -0.869 . . . . 0.0 109.174 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -84.46 3.14 37.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.783 -0.573 . . . . 0.0 109.657 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 3.7 mptp? 60.21 39.56 19.08 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 63.13 52.77 2.43 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.873 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.1 m -77.5 163.53 63.48 Favored Pre-proline 0 C--O 1.217 -0.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.273 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.89 -43.47 3.45 Favored 'Trans proline' 0 C--O 1.216 -0.583 0 O-C-N 123.784 1.413 . . . . 0.0 111.026 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.65 -38.42 80.44 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.372 -0.83 . . . . 0.0 108.83 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.45 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . . . -59.8 -39.71 85.9 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.597 -0.689 . . . . 0.0 109.407 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.525 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.5 m95 -71.31 -31.89 67.96 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.513 -0.742 . . . . 0.0 109.976 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 24' ' ' ILE . 14.4 tm-20 -66.18 -48.33 71.07 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.316 -0.865 . . . . 0.0 109.085 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.19 -40.8 87.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.066 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 126' ' ' ILE . 70.7 t -68.06 -31.38 51.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 121.625 -0.672 . . . . 0.0 109.478 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 23.7 ttp85 -67.38 -47.22 71.0 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.45 -0.782 . . . . 0.0 109.122 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.24 72.31 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -73.22 -31.5 64.19 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.777 -0.577 . . . . 0.0 109.844 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 143' ' ' VAL . 19.6 mm -79.01 -34.11 16.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.289 -0.882 . . . . 0.0 109.6 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.53 ' HA ' HD13 ' A' ' 18' ' ' LEU . 27.3 ttm -73.26 -37.01 66.47 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -72.49 -48.54 39.83 Favored 'General case' 0 C--O 1.209 -1.041 0 O-C-N 121.69 -0.631 . . . . 0.0 109.357 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.627 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 88.9 p -63.76 -38.32 90.67 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.795 -0.565 . . . . 0.0 109.75 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.621 ' HB3' HD21 ' A' ' 15' ' ' LEU . 21.9 t80 -72.06 -37.43 69.65 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.493 -0.754 . . . . 0.0 109.8 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 87.7 p -69.22 -35.63 76.39 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 108.742 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.719 HD22 ' HG3' ' A' ' 40' ' ' GLN . 45.3 mt -64.39 -39.15 93.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.591 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 73.8 m -72.43 -30.1 64.31 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.69 -0.631 . . . . 0.0 110.198 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.637 HG21 ' HB2' ' A' ' 11' ' ' SER . 80.4 p -98.09 0.9 46.99 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.376 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--O 1.212 -0.918 0 O-C-N 121.04 -1.037 . . . . 0.0 110.301 179.559 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 C--O 1.216 -0.684 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -71.77 -36.59 70.41 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.397 -0.814 . . . . 0.0 109.476 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 32.0 mmt180 -75.19 -36.61 61.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.561 -0.712 . . . . 0.0 109.727 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.465 HG23 ' CE1' ' A' ' 84' ' ' PHE . 94.3 m -69.14 -45.68 69.52 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.313 -0.867 . . . . 0.0 109.377 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 151' ' ' PHE . 88.4 mt -68.99 -37.97 79.05 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.709 -0.62 . . . . 0.0 110.41 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.499 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 18.1 ptm -66.39 -30.99 71.49 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.0 -1.063 . . . . 0.0 109.225 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 84' ' ' PHE . 49.8 mt -66.35 -40.9 90.11 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 15' ' ' LEU . 78.2 mt -60.66 -35.89 77.33 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.709 -0.619 . . . . 0.0 109.464 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.24 75.81 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.563 -0.711 . . . . 0.0 109.645 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -65.83 -33.38 75.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.465 -0.772 . . . . 0.0 109.941 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.8 mtp -63.86 -35.59 81.14 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.515 -0.74 . . . . 0.0 109.532 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -48.89 113.16 0.73 Allowed 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.846 -0.534 . . . . 0.0 109.988 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -96.35 -36.18 10.95 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.615 -0.678 . . . . 0.0 109.36 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.934 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.3 pt -113.31 170.53 4.31 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 CA-C-O 121.522 0.677 . . . . 0.0 109.844 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.0 m -96.13 148.97 22.13 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.652 -0.655 . . . . 0.0 109.235 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -64.44 -31.51 72.75 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -68.4 -38.02 80.89 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -66.1 -28.15 68.59 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.934 ' SG ' HD12 ' A' ' 24' ' ' ILE . 20.3 m -108.71 50.21 0.79 Allowed 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.456 -0.777 . . . . 0.0 110.112 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -82.38 -0.99 48.48 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.203 -0.936 . . . . 0.0 109.825 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -79.27 -24.02 43.24 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.436 -0.79 . . . . 0.0 109.181 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.698 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.6 m-20 -112.41 25.82 11.14 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.679 -0.638 . . . . 0.0 109.91 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.5 123.18 16.58 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.111 -0.993 . . . . 0.0 109.21 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -151.86 126.53 9.54 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.527 -0.733 . . . . 0.0 109.041 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -91.67 114.24 26.72 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.673 ' CE1' ' HA ' ' A' ' 126' ' ' ILE . 79.7 m-85 -69.41 -43.72 72.84 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.529 -0.732 . . . . 0.0 110.267 -178.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.53 66.45 0.67 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 150' ' ' SER . 82.4 t80 -65.42 128.51 93.86 Favored Pre-proline 0 C--O 1.217 -0.623 0 O-C-N 121.662 -0.905 . . . . 0.0 108.834 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.643 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 53.0 Cg_endo -75.57 68.74 6.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.678 1.357 . . . . 0.0 110.827 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.572 ' OE1' HD22 ' A' ' 153' ' ' LEU . 20.2 tt0 -71.42 -17.07 62.41 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.415 -0.803 . . . . 0.0 109.662 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.5 -29.44 64.31 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.34 -0.85 . . . . 0.0 109.0 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.587 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.0 tp10 -99.69 31.44 3.21 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.413 -0.805 . . . . 0.0 109.284 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 38.7 m-85 . . . . . 0 C--O 1.217 -0.643 0 O-C-N 121.338 -0.851 . . . . 0.0 109.083 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.561 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 36.3 p . . . . . 0 C--O 1.205 -1.289 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 36.2 mt -46.69 -50.86 40.81 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 120.946 -1.096 . . . . 0.0 111.014 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.97 -31.86 45.86 Favored 'Trans proline' 0 C--N 1.354 0.828 0 O-C-N 123.258 1.136 . . . . 0.0 110.252 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.631 HG11 ' CZ ' ' A' ' 43' ' ' PHE . 46.3 t -70.47 -47.22 66.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.583 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 35.0 mt -62.36 -31.44 72.09 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -66.01 -46.99 75.93 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.445 -0.784 . . . . 0.0 109.658 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 116' ' ' ILE . 30.1 tp10 -72.34 -30.15 64.48 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.304 -0.873 . . . . 0.0 109.842 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.7 ttt -67.27 -48.05 68.87 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.279 -0.888 . . . . 0.0 108.982 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.77 HG23 ' CD2' ' A' ' 88' ' ' LEU . 16.8 mt -71.81 -21.31 20.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.669 -0.644 . . . . 0.0 109.42 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -74.84 -36.09 62.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.66 -33.94 64.7 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 67' ' ' PHE . 82.5 mt -74.98 -29.09 21.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.631 ' HA ' HD13 ' A' ' 88' ' ' LEU . 23.1 t80 -64.94 -49.39 70.54 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 121.406 -0.809 . . . . 0.0 109.464 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.692 ' O ' HG23 ' A' ' 69' ' ' THR . 7.2 m120 -79.04 -32.21 44.88 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.534 -0.729 . . . . 0.0 109.745 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 130' ' ' LEU . 49.6 tp -61.89 -32.24 72.6 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.514 -0.742 . . . . 0.0 109.364 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 63' ' ' ILE . 16.8 m-85 -97.9 -25.1 15.12 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.611 -0.681 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.0 t -75.72 -20.09 58.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.295 -0.878 . . . . 0.0 109.835 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 65' ' ' ASN . 7.3 p -54.05 148.56 10.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.402 -0.811 . . . . 0.0 109.799 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.73 -26.53 68.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.609 -0.682 . . . . 0.0 109.817 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.1 p30 -73.76 -26.32 60.59 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.589 -0.695 . . . . 0.0 110.013 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' A' ' 67' ' ' PHE . 23.0 t -94.12 -31.92 13.97 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.214 -0.929 . . . . 0.0 109.495 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 67.2 m -63.47 -34.51 77.93 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.247 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.9 -27.35 33.45 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.39 85.28 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.586 -0.696 . . . . 0.0 110.029 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 23' ' ' LYS . 70.0 m95 -111.98 172.59 6.81 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.725 -0.609 . . . . 0.0 109.932 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.62 132.22 47.11 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -65.1 -28.29 69.34 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.495 -0.753 . . . . 0.0 110.619 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.7 m -79.24 -43.73 23.18 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.079 -1.013 . . . . 0.0 108.996 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.6 -35.66 81.25 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.8 mt -72.87 -33.48 66.11 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -55.81 -52.38 64.2 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -63.98 -34.27 77.6 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.779 ' CE2' HD11 ' A' ' 88' ' ' LEU . 27.2 t80 -65.05 -31.19 72.29 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.751 -0.593 . . . . 0.0 109.773 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -73.19 -37.68 66.41 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.165 -0.959 . . . . 0.0 108.753 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.2 m -69.62 -35.69 75.48 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.509 -0.744 . . . . 0.0 109.768 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -73.63 -34.23 64.9 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 84' ' ' PHE . 77.1 mt -68.96 -44.2 73.43 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.644 -0.66 . . . . 0.0 109.654 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.539 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.3 t80 -74.94 -27.32 60.15 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.577 -0.702 . . . . 0.0 109.795 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -68.59 -50.48 51.3 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -66.14 -30.05 70.47 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 15.0 mt -68.33 -34.22 75.71 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.42 -0.8 . . . . 0.0 109.35 178.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -68.75 -42.16 77.91 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.454 -0.779 . . . . 0.0 109.076 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.56 -41.42 84.24 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.517 -0.739 . . . . 0.0 109.337 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.527 HD23 HG23 ' A' ' 53' ' ' ILE . 79.8 mt . . . . . 0 C--O 1.215 -0.732 0 O-C-N 121.724 -0.61 . . . . 0.0 109.705 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 35.7 t0 . . . . . 0 C--O 1.216 -0.672 0 CA-C-O 120.859 0.361 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.587 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 12.7 p -62.55 -43.64 98.32 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.384 -0.823 . . . . 0.0 109.926 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.615 HG12 ' HA ' ' A' ' 55' ' ' VAL . 64.6 mt -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.577 -0.702 . . . . 0.0 109.137 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 117' ' ' LEU . 2.8 tt -65.48 -34.92 79.4 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.75 -48.7 70.98 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.8 t -65.31 -26.76 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 120' ' ' ARG . 7.3 tmm_? -68.08 -48.48 65.43 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.26 -0.9 . . . . 0.0 109.711 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 118' ' ' ALA . 21.9 pttp -69.46 -25.46 64.1 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.247 -0.908 . . . . 0.0 109.345 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.729 ' CE2' HD11 ' A' ' 126' ' ' ILE . 76.2 t80 -67.87 -52.6 34.69 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.451 -0.781 . . . . 0.0 109.118 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.411 ' HA ' HD12 ' A' ' 126' ' ' ILE . 28.0 m-85 -67.87 -27.13 66.41 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.639 -0.663 . . . . 0.0 109.783 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.33 -42.72 99.0 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -64.88 -36.77 85.42 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.729 HD11 ' CE2' ' A' ' 122' ' ' TYR . 61.8 mt -64.53 -37.93 81.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 121.476 -0.765 . . . . 0.0 109.419 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 21.7 m -66.94 -40.86 87.69 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.497 -0.752 . . . . 0.0 109.903 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 128' ' ' LEU . 4.3 mm? -71.39 -35.47 71.05 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.454 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 46.1 t80 -64.41 -39.68 94.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.324 -0.86 . . . . 0.0 108.938 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.53 HD22 ' CE2' ' A' ' 140' ' ' TRP . 41.9 mt -65.21 -44.57 87.9 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.3 -23.68 63.84 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.257 -0.902 . . . . 0.0 109.816 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.37 -48.38 50.46 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.323 -0.861 . . . . 0.0 109.141 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.434 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.5 mptt -82.77 2.76 32.36 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.877 -0.514 . . . . 0.0 109.809 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? 61.86 37.82 15.09 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.871 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 68.9 m-85 60.6 51.87 4.83 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.664 -0.647 . . . . 0.0 110.042 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.448 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -80.07 161.73 64.54 Favored Pre-proline 0 C--O 1.218 -0.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.455 ' O ' HD11 ' A' ' 24' ' ' ILE . 42.5 Cg_endo -68.72 -35.43 16.41 Favored 'Trans proline' 0 C--O 1.217 -0.568 0 O-C-N 123.761 1.401 . . . . 0.0 110.978 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.36 -38.54 68.52 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.388 -0.82 . . . . 0.0 109.065 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.434 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.13 -39.07 93.24 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.53 ' CE2' HD22 ' A' ' 130' ' ' LEU . 31.4 m95 -70.02 -32.88 71.25 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.57 -0.707 . . . . 0.0 109.742 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -63.52 -40.57 97.39 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.324 -0.86 . . . . 0.0 108.932 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.698 HG21 ' O ' ' A' ' 32' ' ' ASP . 59.8 t -65.24 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 147' ' ' ILE . 98.7 t -69.87 -23.52 25.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 121.735 -0.603 . . . . 0.0 109.681 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.489 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 3.7 tmm_? -70.87 -48.28 54.7 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.147 -0.97 . . . . 0.0 108.728 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.423 ' HB2' ' NH2' ' A' ' 144' ' ' ARG . . . -67.66 -32.12 72.58 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.66 -0.65 . . . . 0.0 109.299 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -74.3 -31.46 62.5 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.9 mm -81.0 -32.06 12.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 121.092 -1.005 . . . . 0.0 109.683 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 29.0 ttm -73.95 -38.98 64.07 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 149' ' ' ARG . 0.9 OUTLIER -71.07 -49.69 41.92 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.715 -0.616 . . . . 0.0 109.421 179.34 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.3 m -59.94 -44.57 94.3 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.773 ' HB3' HD21 ' A' ' 15' ' ' LEU . 28.9 t80 -62.81 -42.21 99.62 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.526 -0.734 . . . . 0.0 109.177 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 28.1 t -63.84 -34.1 77.18 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.461 -0.774 . . . . 0.0 109.381 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.572 HD22 ' OE1' ' A' ' 40' ' ' GLN . 84.7 mt -69.74 -37.15 76.38 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.691 -0.63 . . . . 0.0 109.563 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 11.1 m -70.27 -25.72 63.48 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.584 -0.697 . . . . 0.0 109.835 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.509 HG21 ' CE1' ' A' ' 151' ' ' PHE . 69.2 p -104.19 1.39 30.58 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.464 -0.773 . . . . 0.0 109.726 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 152' ' ' SER . 43.8 t30 . . . . . 0 CA--C 1.543 0.704 0 O-C-N 121.189 -0.945 . . . . 0.0 110.57 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.607 ' HB2' HG21 ' A' ' 155' ' ' THR . 67.6 p . . . . . 0 C--O 1.217 -0.611 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -67.94 -35.37 78.32 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 11.4 tpp85 -71.14 -37.16 72.28 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.381 -0.824 . . . . 0.0 109.221 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.4 m -62.76 -45.75 91.22 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.494 -0.754 . . . . 0.0 109.022 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 151' ' ' PHE . 98.8 mt -68.82 -32.31 71.93 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.716 -0.615 . . . . 0.0 109.448 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.2 ttp -64.09 -38.94 92.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.778 HD13 ' HA ' ' A' ' 84' ' ' PHE . 92.1 mt -60.7 -43.96 97.14 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 15' ' ' LEU . 48.9 mt -57.89 -42.15 84.06 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.828 -0.545 . . . . 0.0 109.902 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.54 96.59 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.523 -0.736 . . . . 0.0 109.71 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -67.08 -32.12 73.08 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.942 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.486 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 23.8 mtm -71.98 -23.92 61.5 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -41.59 127.68 3.12 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.586 -0.696 . . . . 0.0 110.757 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -102.8 -28.36 12.12 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.835 -0.54 . . . . 0.0 110.006 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.762 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -143.49 168.86 11.85 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 O-C-N 121.268 -0.895 . . . . 0.0 110.812 -177.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -84.09 139.61 32.36 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 30' ' ' LEU . 56.2 tp -56.72 -38.4 72.29 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.668 -0.645 . . . . 0.0 109.416 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.767 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 96.7 m-85 -59.29 -41.56 89.22 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.91 -34.35 74.54 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.762 ' SG ' HD12 ' A' ' 24' ' ' ILE . 73.6 m -99.32 50.55 0.94 Allowed 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.649 -0.657 . . . . 0.0 109.551 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.767 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -81.75 4.26 22.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 179.14 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -94.76 -26.7 16.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.268 -0.895 . . . . 0.0 109.262 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.716 ' O ' HG21 ' A' ' 142' ' ' VAL . 42.3 m-20 -112.78 22.93 13.99 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.444 -0.785 . . . . 0.0 110.353 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.584 ' HD3' HD12 ' A' ' 30' ' ' LEU . 40.8 ptt85 -86.3 110.11 19.42 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.895 -1.128 . . . . 0.0 109.39 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -137.3 136.29 37.87 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.437 -0.79 . . . . 0.0 109.239 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.28 119.58 21.83 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -73.47 -52.31 14.11 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.575 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.13 64.86 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 74.5 t80 -64.12 129.25 93.89 Favored Pre-proline 0 C--O 1.217 -0.611 0 O-C-N 121.565 -0.962 . . . . 0.0 108.811 178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.655 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.4 Cg_endo -75.42 66.28 6.38 Favored 'Trans proline' 0 C--N 1.351 0.664 0 O-C-N 123.712 1.375 . . . . 0.0 110.977 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.734 ' HG3' HD22 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -71.8 -19.74 61.95 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.385 -0.822 . . . . 0.0 109.99 179.627 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -58.45 -28.29 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.151 -0.968 . . . . 0.0 108.921 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HG3' ' HB3' ' A' ' 115' ' ' SER . 6.1 tp10 -98.92 33.71 2.28 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 177.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 20.8 m-85 . . . . . 0 C--O 1.214 -0.806 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.504 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 12.2 t . . . . . 0 C--O 1.214 -0.815 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.633 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 83.1 mt -56.9 -46.16 99.89 Favored Pre-proline 0 C--O 1.216 -0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.7 Cg_endo -64.15 -29.59 65.01 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.201 1.106 . . . . 0.0 110.19 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.649 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.5 t -73.76 -34.54 40.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 22.0 mt -68.05 -38.46 82.5 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.451 -0.781 . . . . 0.0 109.071 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -65.59 -48.63 71.67 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.623 -0.673 . . . . 0.0 109.784 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.579 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.7 mp0 -71.77 -28.21 63.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.315 -0.866 . . . . 0.0 110.253 -179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.451 ' HG3' HG11 ' A' ' 119' ' ' VAL . 10.2 ttt -71.59 -39.22 70.67 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.021 -1.05 . . . . 0.0 109.059 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.606 HG23 HD22 ' A' ' 88' ' ' LEU . 12.5 mt -73.11 -22.05 19.38 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.392 -0.818 . . . . 0.0 109.127 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -70.01 -38.72 76.02 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -69.58 -38.23 77.26 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.796 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.493 HG23 ' CE1' ' A' ' 67' ' ' PHE . 78.5 mt -70.97 -34.95 57.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.303 -0.873 . . . . 0.0 108.71 178.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.618 ' HA ' HD13 ' A' ' 88' ' ' LEU . 46.6 t80 -60.17 -44.12 95.29 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.652 -0.655 . . . . 0.0 109.649 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.731 ' O ' HG23 ' A' ' 69' ' ' THR . 43.0 t30 -78.45 -38.7 40.59 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.902 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.463 HD11 HD11 ' A' ' 130' ' ' LEU . 28.9 tp -58.81 -32.44 69.36 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.427 -0.796 . . . . 0.0 109.553 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.493 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.4 m-85 -95.2 -26.14 16.1 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.894 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.8 t -75.54 -18.41 59.79 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.289 -0.882 . . . . 0.0 110.221 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 65' ' ' ASN . 28.5 p -52.39 147.21 8.34 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.355 -0.841 . . . . 0.0 109.888 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -60.18 -25.33 65.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.485 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.3 m-20 -74.09 -44.2 54.91 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.44 -0.787 . . . . 0.0 109.562 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.469 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.6 t -74.3 -31.06 62.35 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.381 -0.824 . . . . 0.0 109.785 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.511 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.6 m -65.35 -32.53 74.22 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.55 -0.718 . . . . 0.0 109.42 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.73 -26.83 25.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.51 82.34 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.705 -0.622 . . . . 0.0 109.893 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -116.0 167.86 10.59 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.705 -0.622 . . . . 0.0 109.51 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -65.6 132.09 47.97 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.53 -27.72 69.35 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.487 -0.758 . . . . 0.0 110.339 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -77.88 -44.46 27.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.232 -0.917 . . . . 0.0 108.723 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 81.3 mt -62.86 -38.85 92.47 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.7 -33.48 70.94 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.74 -49.87 71.94 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 83' ' ' LYS . 14.4 mmmm -65.87 -36.03 82.28 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.778 ' HA ' HD13 ' A' ' 17' ' ' LEU . 31.6 t80 -64.53 -28.46 69.66 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.732 -0.605 . . . . 0.0 109.866 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -76.29 -43.34 42.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.988 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -66.31 -32.08 73.26 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.721 -0.612 . . . . 0.0 109.571 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -77.69 -34.02 53.04 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.398 -0.814 . . . . 0.0 109.08 178.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.727 HD11 ' CE2' ' A' ' 84' ' ' PHE . 43.4 mt -65.22 -39.91 93.38 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.341 -0.849 . . . . 0.0 108.895 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.525 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -75.7 -32.96 60.3 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.574 -0.704 . . . . 0.0 109.916 179.298 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -64.48 -47.57 78.46 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.035 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -69.12 -25.34 64.35 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.5 mt -72.09 -34.44 68.66 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -73.77 -35.49 64.98 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.303 -0.873 . . . . 0.0 109.088 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -68.64 -43.44 76.28 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 56' ' ' LEU . 62.0 mt . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 121.025 0.44 . . . . 0.0 110.39 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.215 -0.734 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.585 ' HB3' ' HG3' ' A' ' 42' ' ' GLU . 2.3 p -66.4 -45.06 81.23 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 108.908 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.649 HG12 ' HA ' ' A' ' 55' ' ' VAL . 79.1 mt -67.63 -36.52 76.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 117' ' ' LEU . 19.6 mt -65.03 -33.31 75.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.783 -0.573 . . . . 0.0 109.649 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.655 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.9 -45.98 79.99 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.451 HG11 ' HG3' ' A' ' 59' ' ' MET . 77.5 t -65.77 -28.77 44.96 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.5 -42.91 77.92 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.169 -0.957 . . . . 0.0 109.634 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 121' ' ' LYS . 3.2 tppp? -72.96 -31.61 64.68 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.436 -0.79 . . . . 0.0 109.1 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.61 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 55.9 t80 -64.12 -47.81 78.54 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.601 -0.687 . . . . 0.0 109.368 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -71.74 -28.39 63.63 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.794 -0.566 . . . . 0.0 109.987 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -63.34 -40.56 97.65 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -67.38 -39.65 85.66 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.525 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.2 mt -60.49 -38.29 77.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 121.569 -0.707 . . . . 0.0 109.172 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 130' ' ' LEU . 56.0 m -64.81 -38.21 90.2 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 109.159 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.484 HD12 ' NZ ' ' A' ' 131' ' ' LYS . 14.5 tp -64.39 -44.33 91.67 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -58.33 -37.14 74.54 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.779 -0.575 . . . . 0.0 109.485 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' A' ' 140' ' ' TRP . 32.3 mt -70.15 -42.41 72.58 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 121.695 -0.628 . . . . 0.0 109.554 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.484 ' NZ ' HD12 ' A' ' 128' ' ' LEU . 9.8 mtmp? -71.0 -20.23 62.44 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.737 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -75.9 -51.38 12.61 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.211 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 5.3 mptp? -81.03 4.31 20.14 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.873 -0.517 . . . . 0.0 109.793 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.45 38.91 22.47 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.684 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 90.2 m-85 62.05 52.57 3.25 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.691 -0.631 . . . . 0.0 110.286 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.462 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.9 m -79.94 162.25 62.96 Favored Pre-proline 0 C--O 1.218 -0.577 0 O-C-N 121.475 -0.765 . . . . 0.0 109.329 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.3 Cg_endo -69.61 -36.64 10.82 Favored 'Trans proline' 0 C--N 1.35 0.609 0 O-C-N 123.833 1.439 . . . . 0.0 111.221 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.94 -39.31 76.16 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.351 -0.843 . . . . 0.0 109.077 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -65.6 -41.26 92.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.479 -0.763 . . . . 0.0 109.035 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.484 ' CE2' HD22 ' A' ' 130' ' ' LEU . 18.4 m95 -67.3 -38.67 85.39 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.513 -0.742 . . . . 0.0 109.939 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.34 -36.71 81.98 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.412 -0.805 . . . . 0.0 109.375 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.716 HG21 ' O ' ' A' ' 32' ' ' ASP . 41.5 t -67.54 -38.89 81.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 139' ' ' ALA . 93.8 t -71.89 -23.75 22.35 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.433 ' C ' ' HD2' ' A' ' 144' ' ' ARG . 4.5 tmm_? -67.72 -48.84 65.37 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.54 75.94 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.662 -0.649 . . . . 0.0 109.413 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.08 -35.3 76.36 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.54 -0.725 . . . . 0.0 109.915 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 mm -77.27 -31.89 18.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.459 -0.776 . . . . 0.0 109.655 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.509 ' HG3' HD22 ' A' ' 15' ' ' LEU . 34.6 ttm -73.09 -37.59 66.7 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.392 -0.818 . . . . 0.0 108.84 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 149' ' ' ARG . 17.4 tpp180 -71.03 -49.86 40.31 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 121.611 -0.681 . . . . 0.0 109.357 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.56 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 73.5 p -61.2 -42.03 97.87 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.962 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.921 ' HB3' HD21 ' A' ' 15' ' ' LEU . 64.6 t80 -68.46 -34.89 76.75 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.383 -0.823 . . . . 0.0 109.645 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 32.5 t -68.82 -39.0 80.24 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 108.797 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.734 HD22 ' HG3' ' A' ' 40' ' ' GLN . 32.2 mt -63.28 -41.15 98.98 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.613 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.9 m -66.12 -36.51 83.35 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.982 -0.449 . . . . 0.0 110.363 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 11' ' ' SER . 69.2 p -94.79 0.81 55.22 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.184 -0.947 . . . . 0.0 110.652 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 152' ' ' SER . 47.4 t30 . . . . . 0 C--O 1.212 -0.872 0 O-C-N 121.077 -1.015 . . . . 0.0 110.969 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.914 ' HB3' HG21 ' A' ' 155' ' ' THR . 55.3 m . . . . . 0 C--O 1.217 -0.639 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 9.7 tpt180 -64.23 -37.73 88.53 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.531 -0.73 . . . . 0.0 109.3 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 38.5 mmm-85 -67.82 -31.26 70.99 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.281 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -62.96 -44.32 96.36 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.939 HD21 ' HB3' ' A' ' 151' ' ' PHE . 82.9 mt -70.57 -33.6 71.27 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.733 -0.604 . . . . 0.0 109.577 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttp -64.15 -37.55 87.87 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.345 -0.847 . . . . 0.0 108.846 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.784 HD13 ' HA ' ' A' ' 84' ' ' PHE . 78.3 mt -63.06 -45.61 91.38 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 15' ' ' LEU . 76.4 mt -57.38 -39.32 75.81 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.865 -0.522 . . . . 0.0 109.961 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.3 95.1 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.455 -0.778 . . . . 0.0 109.892 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -66.89 -24.65 66.13 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.449 -0.782 . . . . 0.0 110.382 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.534 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 19.6 mtm -77.47 -19.96 55.15 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 121.15 -0.969 . . . . 0.0 110.599 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -50.35 124.59 10.8 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.094 -1.004 . . . . 0.0 110.791 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.3 mptm? -103.08 -34.15 8.99 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.886 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.5 pt -130.81 171.19 18.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 121.571 0.701 . . . . 0.0 110.462 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -91.3 145.47 24.62 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD21 ' HE ' ' A' ' 33' ' ' ARG . 59.9 tp -59.9 -35.66 75.34 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.581 -0.699 . . . . 0.0 109.14 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.727 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 85.6 m-85 -63.5 -40.51 97.27 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 t -60.19 -28.01 67.62 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.886 ' SG ' HD12 ' A' ' 24' ' ' ILE . 55.4 m -107.02 51.96 0.73 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.66 -0.65 . . . . 0.0 109.691 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.727 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -80.78 3.7 21.52 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.276 -0.89 . . . . 0.0 109.979 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -88.17 -30.1 20.02 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.278 -0.889 . . . . 0.0 108.657 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.669 ' O ' HG21 ' A' ' 142' ' ' VAL . 3.4 m-20 -111.33 18.04 19.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.792 -0.568 . . . . 0.0 110.023 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HE ' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -71.36 107.62 4.4 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.005 -1.06 . . . . 0.0 108.82 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -144.36 129.62 18.75 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.7 129.36 34.41 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.514 -0.741 . . . . 0.0 109.202 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 61.7 m-85 -80.19 -34.42 37.45 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.465 -0.772 . . . . 0.0 109.761 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.05 77.07 1.25 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.476 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 88.7 t80 -76.91 130.16 76.67 Favored Pre-proline 0 C--O 1.218 -0.593 0 O-C-N 121.515 -0.991 . . . . 0.0 109.184 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.566 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.2 Cg_endo -80.75 70.48 7.51 Favored 'Trans proline' 0 C--N 1.352 0.712 0 O-C-N 123.743 1.391 . . . . 0.0 110.955 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.646 ' OE1' HD22 ' A' ' 153' ' ' LEU . 13.2 tt0 -72.0 -16.93 62.08 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.325 -0.86 . . . . 0.0 109.615 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -56.43 -33.37 65.79 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.246 -0.908 . . . . 0.0 108.671 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.657 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 1.3 tp10 -92.37 29.02 1.78 Allowed 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.426 -0.796 . . . . 0.0 109.644 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.626 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 40.0 m-85 . . . . . 0 C--O 1.218 -0.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.511 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.508 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.21 -0.996 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.767 HG23 HD23 ' A' ' 95' ' ' LEU . 23.4 mt -50.48 -47.9 82.85 Favored Pre-proline 0 C--O 1.216 -0.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.999 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.4 Cg_endo -64.11 -33.62 60.72 Favored 'Trans proline' 0 C--N 1.354 0.861 0 O-C-N 123.15 1.079 . . . . 0.0 110.545 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.626 ' CG1' ' CZ ' ' A' ' 43' ' ' PHE . 47.3 t -70.98 -42.79 77.01 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.593 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 44.0 mt -64.75 -30.89 71.91 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.0 -47.09 66.39 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.452 -0.78 . . . . 0.0 109.694 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.808 ' HG3' HD13 ' A' ' 116' ' ' ILE . 81.6 mm-40 -74.18 -28.22 61.18 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.408 ' CG ' HG11 ' A' ' 119' ' ' VAL . 9.9 ttt -73.8 -43.39 59.01 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.202 -0.936 . . . . 0.0 109.242 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.483 HG12 ' HE1' ' A' ' 151' ' ' PHE . 10.1 mt -71.77 -22.34 21.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.41 -0.806 . . . . 0.0 109.137 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -38.11 65.43 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -67.92 -40.51 83.35 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.608 HG23 ' CE1' ' A' ' 67' ' ' PHE . 66.4 mt -67.72 -34.61 68.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.555 ' HA ' HD13 ' A' ' 88' ' ' LEU . 25.1 t80 -56.9 -48.84 77.26 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.686 -0.634 . . . . 0.0 109.777 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.777 ' O ' HG23 ' A' ' 69' ' ' THR . 6.7 m120 -76.98 -34.78 57.53 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.497 -0.752 . . . . 0.0 109.945 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 130' ' ' LEU . 50.8 tp -59.45 -33.49 71.35 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.516 -0.74 . . . . 0.0 109.779 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.608 ' CE1' HG23 ' A' ' 63' ' ' ILE . 60.1 m-85 -99.09 -23.18 15.35 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.534 -0.728 . . . . 0.0 110.09 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -75.36 -19.88 59.31 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.217 -0.927 . . . . 0.0 110.222 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 65' ' ' ASN . 37.8 p -54.76 149.44 11.16 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.088 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -22.94 67.14 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.649 -0.657 . . . . 0.0 109.771 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.526 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.2 m-20 -74.85 -37.5 62.2 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.455 -0.778 . . . . 0.0 109.441 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.404 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 15.4 t -78.36 -31.34 48.49 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.485 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.599 ' HA ' HD12 ' A' ' 81' ' ' LEU . 99.2 p -68.3 -33.56 74.55 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 121.593 -0.692 . . . . 0.0 109.534 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.6 -17.49 44.58 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.29 31.68 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 69.3 m95 -118.59 170.77 8.68 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.718 -0.614 . . . . 0.0 109.733 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.482 ' HB2' HD12 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -61.78 130.53 46.21 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -66.16 -28.22 68.61 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.453 -0.78 . . . . 0.0 110.233 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -77.97 -44.8 25.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.136 -0.978 . . . . 0.0 108.738 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 77' ' ' ASP . 95.7 mt -62.58 -38.07 88.68 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.4 -33.61 69.63 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.87 -53.42 56.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 75.7 mmtt -65.19 -35.61 81.61 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.795 ' CE2' HD11 ' A' ' 88' ' ' LEU . 45.0 t80 -62.56 -29.18 70.39 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.795 -0.566 . . . . 0.0 109.514 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.0 m-85 -74.67 -42.26 58.79 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.216 -0.928 . . . . 0.0 109.108 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.8 m -65.41 -34.28 77.93 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.734 -0.604 . . . . 0.0 109.803 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.39 -34.61 65.62 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.411 -0.806 . . . . 0.0 109.364 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.795 HD11 ' CE2' ' A' ' 84' ' ' PHE . 68.8 mt -69.65 -40.6 76.38 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.555 -0.716 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.529 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.0 t80 -76.17 -32.1 58.87 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.493 -0.754 . . . . 0.0 109.921 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -51.88 59.88 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.67 -30.26 71.39 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 11.7 mt -68.93 -33.17 73.29 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.646 -0.659 . . . . 0.0 109.694 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -70.09 -42.42 72.76 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.233 -0.917 . . . . 0.0 109.36 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.51 -47.05 74.2 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.434 -0.791 . . . . 0.0 109.048 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.767 HD23 HG23 ' A' ' 53' ' ' ILE . 82.0 mt . . . . . 0 C--O 1.216 -0.661 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.583 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.213 -0.834 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.657 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 13.3 p -68.29 -45.07 74.08 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.053 -1.029 . . . . 0.0 108.41 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.808 HD13 ' HG3' ' A' ' 58' ' ' GLU . 71.5 mt -69.73 -37.37 73.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.41 -30.71 71.75 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -66.18 -49.58 66.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' A' ' 59' ' ' MET . 72.7 t -63.14 -27.35 42.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.921 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -69.39 -41.23 76.75 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.47 -38.28 77.65 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.392 -0.817 . . . . 0.0 109.247 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.767 ' CE2' HD11 ' A' ' 126' ' ' ILE . 39.1 t80 -64.44 -46.82 81.52 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.39 -23.8 61.95 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.713 -0.617 . . . . 0.0 109.997 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -66.97 -39.59 87.26 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -69.45 -37.15 77.21 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.767 HD11 ' CE2' ' A' ' 122' ' ' TYR . 59.8 mt -65.23 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 O-C-N 121.484 -0.76 . . . . 0.0 109.497 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 58.7 m -67.11 -42.97 83.64 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.499 -0.751 . . . . 0.0 109.68 -178.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 128' ' ' LEU . 11.3 tp -67.48 -35.92 80.11 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.489 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 26.0 t80 -59.96 -40.71 89.94 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 66' ' ' LEU . 41.8 mt -68.83 -38.72 80.04 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 127' ' ' THR . 2.0 mmmp? -69.11 -27.58 65.71 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.055 -1.028 . . . . 0.0 109.387 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 1.8 tm-20 -70.48 -57.45 4.77 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.501 -0.75 . . . . 0.0 109.031 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.7 mptp? -75.98 -0.16 20.62 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 134' ' ' LYS . 29.4 mmmt 58.02 47.07 15.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.377 -0.827 . . . . 0.0 109.655 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.526 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 99.4 m-85 58.11 54.9 5.54 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 121.376 0.608 . . . . 0.0 110.339 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.455 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -81.69 162.02 59.36 Favored Pre-proline 0 C--O 1.217 -0.635 0 O-C-N 121.377 -0.827 . . . . 0.0 109.368 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.6 Cg_endo -68.66 -38.3 10.89 Favored 'Trans proline' 0 C--N 1.35 0.62 0 O-C-N 123.8 1.421 . . . . 0.0 111.372 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.35 -38.53 68.55 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -64.81 -37.6 88.15 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.418 -0.801 . . . . 0.0 108.965 178.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.404 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.2 m95 -69.69 -34.13 73.5 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 121.529 -0.732 . . . . 0.0 109.641 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.89 -46.39 85.07 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.338 -0.851 . . . . 0.0 109.319 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.669 HG21 ' O ' ' A' ' 32' ' ' ASP . 53.0 t -62.9 -38.5 82.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 139' ' ' ALA . 64.0 t -72.36 -25.55 23.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 O-C-N 121.593 -0.692 . . . . 0.0 109.705 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -46.35 66.49 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.185 -0.947 . . . . 0.0 109.044 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.82 71.19 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.453 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 44.9 mm-40 -69.16 -36.08 77.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.604 -0.685 . . . . 0.0 109.855 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 67' ' ' PHE . 14.7 mm -76.57 -33.24 22.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.287 -0.883 . . . . 0.0 109.739 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.2 ttm -72.22 -39.94 68.17 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -74.09 -42.2 60.5 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.391 -0.818 . . . . 0.0 109.736 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.8 m -66.01 -40.2 90.9 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.441 -0.787 . . . . 0.0 109.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.939 ' HB3' HD21 ' A' ' 15' ' ' LEU . 60.1 t80 -64.86 -38.67 91.76 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.486 -0.759 . . . . 0.0 109.271 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.4 t -65.47 -38.53 90.08 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.646 HD22 ' OE1' ' A' ' 40' ' ' GLN . 72.2 mt -64.04 -31.2 72.3 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 109.824 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.593 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 41.4 m -79.94 -27.73 39.76 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.288 -0.883 . . . . 0.0 110.055 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.914 HG21 ' HB3' ' A' ' 11' ' ' SER . 76.6 p -96.61 -0.61 48.34 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.371 -0.831 . . . . 0.0 110.632 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.063 . . . . 0.0 110.243 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.7 p . . . . . 0 C--O 1.215 -0.719 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 tpt85 -66.12 -35.47 80.58 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.555 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 19.7 mmt85 -70.24 -33.56 71.79 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.446 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -69.37 -41.45 76.5 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.191 -0.943 . . . . 0.0 108.785 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.777 HD21 ' HB3' ' A' ' 151' ' ' PHE . 87.7 mt -70.52 -33.35 71.08 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.664 -0.647 . . . . 0.0 110.363 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.555 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.2 ptm -70.53 -31.13 68.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.794 -1.191 . . . . 0.0 108.903 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.798 HD13 ' HA ' ' A' ' 84' ' ' PHE . 96.8 mt -62.67 -43.37 98.98 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.577 HD12 HD23 ' A' ' 15' ' ' LEU . 75.6 mt -58.75 -43.16 90.23 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.3 74.82 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.527 -0.733 . . . . 0.0 109.656 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.94 -29.43 65.45 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.511 -0.743 . . . . 0.0 109.58 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.533 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 55.6 mtp -73.54 -19.3 60.94 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.484 -0.76 . . . . 0.0 110.8 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttp85 -71.77 110.21 6.16 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.888 -1.132 . . . . 0.0 109.208 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -90.36 -36.97 14.33 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.549 -0.72 . . . . 0.0 109.687 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.872 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -109.81 161.4 8.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 121.732 0.777 . . . . 0.0 110.425 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.1 m -83.04 144.09 30.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 63.3 tp -62.4 -35.27 78.7 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 121.545 -0.722 . . . . 0.0 109.462 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.835 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 62.2 m-85 -66.14 -39.25 89.7 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.371 -0.831 . . . . 0.0 108.897 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -59.41 -40.19 85.89 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.872 ' SG ' HD12 ' A' ' 24' ' ' ILE . 18.0 m -111.74 51.15 0.8 Allowed 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.835 ' HB3' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -108.96 7.96 26.15 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.524 -176.318 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -82.62 -33.53 27.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -99.74 17.21 21.22 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.58 -0.7 . . . . 0.0 110.124 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.561 ' NH1' HD12 ' A' ' 30' ' ' LEU . 33.4 ptt180 -82.13 151.52 26.94 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 120.872 -1.142 . . . . 0.0 110.941 -177.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.2 p80 177.2 149.44 0.15 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.73 126.98 31.64 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.317 -0.865 . . . . 0.0 109.285 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.559 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 78.4 m-85 -70.92 -35.99 72.49 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.543 -0.723 . . . . 0.0 109.556 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.05 55.72 0.1 OUTLIER Glycine 0 C--O 1.217 -0.954 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 87.3 t80 -68.76 124.89 91.18 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.47 -1.018 . . . . 0.0 108.754 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.532 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 54.3 Cg_endo -78.68 66.47 8.6 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 O-C-N 123.879 1.462 . . . . 0.0 111.052 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.859 ' HG3' HD22 ' A' ' 153' ' ' LEU . 13.7 tm0? -70.32 -20.88 62.97 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.268 -0.895 . . . . 0.0 109.618 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -59.81 -31.0 69.3 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -93.06 22.31 5.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.492 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 11.3 m-85 . . . . . 0 C--O 1.217 -0.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.447 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.57 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 6.4 p . . . . . 0 C--O 1.206 -1.233 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 62.5 mt -42.68 -51.4 12.01 Favored Pre-proline 0 N--CA 1.476 0.872 0 O-C-N 121.42 -0.8 . . . . 0.0 111.755 -178.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.3 Cg_endo -65.37 -35.49 39.64 Favored 'Trans proline' 0 C--N 1.354 0.83 0 O-C-N 123.1 1.053 . . . . 0.0 110.565 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.1 t -71.7 -31.88 43.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.592 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.4 mt -73.18 -29.95 63.19 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.436 ' O ' HD21 ' A' ' 92' ' ' LEU . 56.3 t-80 -68.15 -46.57 70.41 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.456 -0.777 . . . . 0.0 109.027 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.87 ' HG3' HD13 ' A' ' 116' ' ' ILE . 61.3 mm-40 -76.92 -26.96 54.68 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.345 -0.847 . . . . 0.0 109.802 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -45.45 74.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 108.626 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 88' ' ' LEU . 5.6 mt -73.67 -23.23 19.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 121.766 -0.584 . . . . 0.0 109.496 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -73.24 -36.35 66.41 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -71.29 -37.76 71.83 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.647 -0.658 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.523 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.8 mt -71.81 -32.87 46.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.581 ' HA ' HD13 ' A' ' 88' ' ' LEU . 27.3 t80 -60.8 -46.37 90.79 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.484 -0.76 . . . . 0.0 109.658 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 69' ' ' THR . 19.9 t-20 -76.98 -36.89 56.1 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.591 -0.693 . . . . 0.0 109.911 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 130' ' ' LEU . 36.0 tp -61.8 -29.78 70.38 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 121.412 -0.805 . . . . 0.0 109.747 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 63' ' ' ILE . 21.4 m-85 -97.56 -25.0 15.3 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.278 -0.889 . . . . 0.0 109.947 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 8.2 t -75.33 -21.87 58.07 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.35 -0.844 . . . . 0.0 110.182 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 65' ' ' ASN . 3.6 p -53.18 148.37 8.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.383 -0.823 . . . . 0.0 110.016 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -65.45 -26.94 68.18 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.652 -0.655 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.6 p30 -71.94 -18.41 62.01 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.39 -0.819 . . . . 0.0 109.756 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.48 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.9 m -102.77 -31.77 10.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.387 -0.82 . . . . 0.0 109.619 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.557 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 70.8 m -65.12 -30.3 71.22 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.633 -0.667 . . . . 0.0 109.293 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.58 -30.68 24.82 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.99 86.03 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.523 -0.736 . . . . 0.0 110.035 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.419 ' CE3' ' O ' ' A' ' 21' ' ' MET . 69.3 m95 -114.59 175.48 5.47 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.612 -0.68 . . . . 0.0 109.698 -178.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.571 ' HB2' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -72.38 138.91 47.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.251 -0.906 . . . . 0.0 108.952 179.341 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -27.65 66.38 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.044 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -78.89 -43.91 23.89 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.229 -0.92 . . . . 0.0 108.866 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 77' ' ' ASP . 99.0 mt -63.63 -37.53 87.67 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.557 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.3 mt -72.31 -33.22 67.21 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -55.75 -53.35 57.7 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 83' ' ' LYS . 27.2 mmmt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.798 ' HA ' HD13 ' A' ' 17' ' ' LEU . 12.3 t80 -63.34 -34.34 77.5 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.602 -0.686 . . . . 0.0 109.233 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.17 -31.45 64.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.229 -0.92 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -70.12 -41.06 74.47 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.515 -0.74 . . . . 0.0 109.71 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -75.63 -30.01 59.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.163 -0.961 . . . . 0.0 109.636 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.723 HD11 ' CE2' ' A' ' 84' ' ' PHE . 75.0 mt -70.92 -37.74 72.91 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.154 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.53 -33.24 48.09 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.534 -0.729 . . . . 0.0 109.981 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -71.01 -47.59 57.86 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 109.123 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.525 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 5.5 tp60 -64.15 -34.55 78.32 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.436 HD21 ' O ' ' A' ' 57' ' ' HIS . 9.0 mt -62.92 -43.27 99.25 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.46 -53.14 61.48 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.978 -0.451 . . . . 0.0 111.391 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 91' ' ' GLN . 5.0 p-10 -65.36 -46.2 81.09 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.743 -1.223 . . . . 0.0 109.167 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 56' ' ' LEU . 85.0 mt . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 120.973 0.416 . . . . 0.0 109.96 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.216 -0.699 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.532 ' OG ' HG22 ' A' ' 55' ' ' VAL . 6.0 p -63.71 -47.56 80.63 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.41 -0.807 . . . . 0.0 109.013 178.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.87 HD13 ' HG3' ' A' ' 58' ' ' GLU . 82.4 mt -66.18 -34.91 73.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.37 -34.31 77.87 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.532 ' HB1' ' HG3' ' A' ' 39' ' ' PRO . . . -65.48 -44.83 85.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.24 -24.65 30.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -69.02 -47.08 66.33 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -28.13 65.4 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.406 -0.809 . . . . 0.0 109.395 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 58.6 t80 -67.71 -50.07 59.43 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.493 -0.755 . . . . 0.0 109.084 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.2 -25.53 62.56 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.693 -0.629 . . . . 0.0 110.217 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -65.39 -41.01 94.13 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -67.6 -38.16 83.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 122' ' ' TYR . 65.6 mt -63.84 -37.36 79.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 O-C-N 121.623 -0.673 . . . . 0.0 109.728 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.6 m -66.47 -43.37 85.67 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.164 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 128' ' ' LEU . 8.7 tp -66.55 -32.73 74.26 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -62.87 -45.37 92.89 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.731 -0.606 . . . . 0.0 109.373 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 66' ' ' LEU . 57.9 mt -63.42 -39.57 94.83 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -74.6 -18.44 60.56 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.266 -0.897 . . . . 0.0 109.7 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -77.35 -51.18 11.27 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.253 -0.905 . . . . 0.0 108.902 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -80.77 1.55 29.91 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.792 -0.568 . . . . 0.0 109.584 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.46 40.71 16.83 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.795 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 59.0 m-85 60.04 51.72 5.62 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.656 -0.653 . . . . 0.0 110.082 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.45 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -75.84 162.31 72.45 Favored Pre-proline 0 C--O 1.217 -0.613 0 O-C-N 121.392 -0.818 . . . . 0.0 109.046 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.1 Cg_endo -68.95 -42.75 3.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 O-C-N 123.65 1.342 . . . . 0.0 110.993 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 27.9 m -68.64 -39.06 80.89 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -58.78 -38.16 77.89 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.685 -0.634 . . . . 0.0 109.349 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.48 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 20.8 m95 -72.31 -29.14 63.57 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 121.58 -0.7 . . . . 0.0 110.354 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.703 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.3 tm-20 -73.59 -36.96 65.61 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.086 -1.009 . . . . 0.0 108.72 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 73.2 t -63.7 -44.17 98.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 139' ' ' ALA . 42.6 t -71.62 -27.41 28.21 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 141' ' ' GLU . 8.5 tpt85 -61.23 -54.16 47.72 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.21 -31.93 73.06 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.403 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 21.1 mm-40 -71.63 -30.91 66.29 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.595 -0.691 . . . . 0.0 110.11 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.6 mm -78.81 -32.78 15.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.471 ' HG3' HD22 ' A' ' 15' ' ' LEU . 27.8 ttm -73.75 -39.69 64.04 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.343 -0.848 . . . . 0.0 108.899 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -70.8 -45.17 65.11 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 121.562 -0.711 . . . . 0.0 109.257 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 95.5 p -63.27 -38.28 90.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.634 -0.666 . . . . 0.0 109.671 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.777 ' HB3' HD21 ' A' ' 15' ' ' LEU . 38.0 t80 -68.81 -42.19 77.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.0 t -67.36 -32.86 74.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.408 -0.807 . . . . 0.0 109.379 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.859 HD22 ' HG3' ' A' ' 40' ' ' GLN . 38.0 mt -71.02 -36.13 72.27 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 24.5 m -69.55 -38.62 77.52 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.771 -0.581 . . . . 0.0 109.707 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.4 p -93.4 1.57 56.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.476 -0.765 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 45.0 t30 . . . . . 0 C--O 1.215 -0.74 0 O-C-N 121.246 -0.909 . . . . 0.0 110.856 -179.503 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.556 ' HB3' HG21 ' A' ' 155' ' ' THR . 71.1 m . . . . . 0 C--O 1.217 -0.612 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -66.67 -43.58 84.13 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.489 -0.757 . . . . 0.0 109.819 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.7 ttp180 -74.11 -31.81 62.94 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.347 -0.846 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.504 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 21.0 m -61.93 -45.7 92.56 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.221 -0.924 . . . . 0.0 108.881 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.926 HD21 ' HB3' ' A' ' 151' ' ' PHE . 69.9 mt -69.25 -32.59 71.89 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.688 -0.632 . . . . 0.0 109.491 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 ttp -65.0 -35.08 80.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.374 -0.828 . . . . 0.0 108.846 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 84' ' ' PHE . 97.5 mt -66.48 -42.41 87.53 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.618 HD12 HD23 ' A' ' 15' ' ' LEU . 75.5 mt -61.24 -34.55 75.33 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.671 -0.643 . . . . 0.0 109.53 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.59 -46.87 74.54 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.625 -0.672 . . . . 0.0 109.298 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -69.09 -18.97 64.05 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.49 -0.756 . . . . 0.0 109.787 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.51 ' O ' ' CZ3' ' A' ' 76' ' ' TRP . 43.3 mtp -88.04 29.97 0.89 Allowed 'General case' 0 C--O 1.207 -1.149 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 24' ' ' ILE . 33.6 ttm-85 -102.64 117.29 34.35 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 120.868 -1.145 . . . . 0.0 108.72 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HE2' ' C ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -94.39 -31.53 13.96 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.466 -0.772 . . . . 0.0 109.574 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.815 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pt -129.1 171.51 16.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 121.629 -0.669 . . . . 0.0 109.474 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.0 m -94.42 147.1 23.57 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.9 tp -64.51 -32.13 73.64 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.36 -39.34 92.19 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -65.91 -26.53 67.65 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.438 -0.789 . . . . 0.0 109.304 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.815 ' SG ' HD12 ' A' ' 24' ' ' ILE . 54.4 m -106.66 46.75 0.91 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.6 mt -86.68 -2.34 58.45 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.159 -0.963 . . . . 0.0 109.839 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -82.55 -29.45 30.33 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.442 -0.786 . . . . 0.0 108.994 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -117.02 30.08 7.54 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.685 -0.635 . . . . 0.0 109.496 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -79.77 122.56 26.76 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.087 -1.008 . . . . 0.0 109.228 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -139.17 121.05 15.49 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.606 -0.684 . . . . 0.0 109.367 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -78.17 138.68 38.81 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.39 -0.819 . . . . 0.0 109.243 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 55.0 m-85 -92.53 -45.17 8.25 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.522 -0.736 . . . . 0.0 109.441 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 68.54 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 68.7 t80 -64.29 133.2 95.57 Favored Pre-proline 0 C--O 1.217 -0.634 0 O-C-N 121.587 -0.949 . . . . 0.0 108.784 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.7 Cg_endo -79.66 69.85 7.76 Favored 'Trans proline' 0 C--N 1.351 0.709 0 O-C-N 123.711 1.374 . . . . 0.0 111.29 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HG3' HD22 ' A' ' 153' ' ' LEU . 5.0 tm0? -77.49 -20.7 53.94 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.432 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.28 -32.72 62.62 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.26 41.53 1.11 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.514 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 4.1 m-85 . . . . . 0 CA--C 1.544 0.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.244 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 12.3 t . . . . . 0 C--O 1.214 -0.813 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.748 HG23 HD23 ' A' ' 95' ' ' LEU . 43.2 mt -58.07 -43.69 98.65 Favored Pre-proline 0 C--O 1.213 -0.84 0 O-C-N 120.952 -1.092 . . . . 0.0 110.151 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.95 -25.83 51.85 Favored 'Trans proline' 0 C--N 1.356 0.968 0 O-C-N 123.206 1.109 . . . . 0.0 110.238 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.731 ' HA ' HG12 ' A' ' 116' ' ' ILE . 5.2 t -74.41 -45.68 45.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 41.1 mt -63.04 -36.94 85.25 Favored 'General case' 0 C--O 1.21 -1.002 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 61.9 t-80 -61.22 -47.65 85.1 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.723 -0.611 . . . . 0.0 109.652 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.894 ' HG3' HD13 ' A' ' 116' ' ' ILE . 60.5 mm-40 -69.94 -28.84 65.91 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.465 -0.772 . . . . 0.0 109.758 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.1 ttt -68.59 -36.96 79.42 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.339 -0.85 . . . . 0.0 108.717 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.669 HG21 ' HG ' ' A' ' 92' ' ' LEU . 8.3 mm -67.21 -36.76 77.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 121.454 -0.778 . . . . 0.0 108.982 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -72.08 -35.35 69.21 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.606 -0.684 . . . . 0.0 109.404 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -67.64 -41.96 83.03 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.362 -0.836 . . . . 0.0 108.929 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 67' ' ' PHE . 85.3 mt -71.82 -27.35 27.51 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.618 ' HA ' HD13 ' A' ' 88' ' ' LEU . 44.9 t80 -66.82 -45.98 76.6 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 121.343 -0.848 . . . . 0.0 109.607 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.54 ' O ' HG23 ' A' ' 69' ' ' THR . 5.9 m120 -74.98 -36.11 62.04 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.536 -0.728 . . . . 0.0 109.567 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 130' ' ' LEU . 38.4 tp -63.15 -30.49 71.63 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.488 -0.758 . . . . 0.0 109.269 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.7 m-85 -99.74 -12.59 19.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.625 -0.672 . . . . 0.0 110.296 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -86.66 -20.25 28.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.11 -0.993 . . . . 0.0 109.768 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 65' ' ' ASN . 17.8 p -53.7 147.17 12.01 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.963 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -25.1 67.88 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.49 -0.756 . . . . 0.0 109.72 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.5 m-20 -72.16 -39.01 69.03 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.524 -0.735 . . . . 0.0 109.027 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.481 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 84.0 p -77.35 -32.37 55.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.681 -0.637 . . . . 0.0 109.405 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.537 ' HA ' HD12 ' A' ' 81' ' ' LEU . 32.9 t -66.95 -33.07 74.77 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.317 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.79 -24.63 33.31 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -33.27 66.69 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' MET . 63.5 m95 -119.55 174.18 6.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.566 -0.709 . . . . 0.0 109.852 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.72 131.17 44.14 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.375 -0.828 . . . . 0.0 108.865 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.14 -26.52 68.57 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.518 -0.739 . . . . 0.0 110.183 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.9 m -78.53 -46.32 19.8 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.218 -0.926 . . . . 0.0 108.856 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 80' ' ' LEU . 64.4 mt -62.4 -36.52 82.58 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.99 -34.72 69.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -55.34 -49.07 73.18 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.599 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 25.2 tptp -65.8 -37.68 86.92 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 17' ' ' LEU . 28.7 t80 -63.25 -26.79 68.95 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.955 -0.465 . . . . 0.0 109.765 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 22.7 m-85 -75.57 -49.47 18.49 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.042 -1.036 . . . . 0.0 108.996 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.0 m -62.58 -31.19 71.97 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.776 -0.578 . . . . 0.0 109.489 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' A' ' 14' ' ' THR . 16.5 tp10 -71.11 -40.05 71.71 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.392 -0.818 . . . . 0.0 109.077 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' A' ' 64' ' ' PHE . 67.8 mt -63.82 -44.9 91.86 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.611 -0.68 . . . . 0.0 109.291 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-85 -69.29 -28.94 66.72 Favored 'General case' 0 C--O 1.213 -0.868 0 O-C-N 121.346 -0.846 . . . . 0.0 110.084 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.58 -50.56 64.67 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.249 -0.907 . . . . 0.0 108.561 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.27 -25.78 67.03 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.669 ' HG ' HG21 ' A' ' 60' ' ' ILE . 18.1 mt -71.28 -34.0 70.26 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.458 -0.776 . . . . 0.0 109.235 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.85 -43.11 72.59 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.392 -0.818 . . . . 0.0 109.175 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -66.83 -45.95 76.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.496 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.748 HD23 HG23 ' A' ' 53' ' ' ILE . 63.6 mt . . . . . 0 C--O 1.216 -0.692 0 O-C-N 121.855 -0.528 . . . . 0.0 110.227 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 . . . . . 0 C--O 1.216 -0.68 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.621 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 47.7 m -64.9 -41.61 95.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.894 HD13 ' HG3' ' A' ' 58' ' ' GLU . 55.4 mt -65.96 -33.29 62.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 117' ' ' LEU . 16.4 mt -66.84 -33.65 76.08 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -68.67 -46.17 69.79 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.17 -23.28 30.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.4 ttt85 -70.86 -45.19 64.9 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.33 -0.856 . . . . 0.0 109.388 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.97 -32.18 70.27 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.425 -0.797 . . . . 0.0 108.903 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.663 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.5 t80 -63.63 -52.39 61.03 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -68.45 -27.92 66.59 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.757 -0.589 . . . . 0.0 110.232 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -63.7 -40.66 97.34 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -70.17 -34.08 72.56 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.663 HD11 ' CE2' ' A' ' 122' ' ' TYR . 62.7 mt -65.65 -36.54 77.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 O-C-N 121.423 -0.798 . . . . 0.0 109.108 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.0 m -66.78 -43.76 83.16 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.421 -0.799 . . . . 0.0 109.217 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.9 -34.74 78.82 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.424 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 89.2 t80 -59.48 -47.02 87.12 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 66' ' ' LEU . 73.2 mt -61.32 -37.16 82.25 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.02 -29.21 67.33 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.376 -0.827 . . . . 0.0 109.55 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.58 -52.15 28.76 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.536 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.9 mptt -82.25 3.38 27.69 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.84 -0.537 . . . . 0.0 109.839 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 5.0 mptp? 55.91 47.43 20.08 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.383 -0.823 . . . . 0.0 109.463 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 92.5 m-85 56.72 54.87 6.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.601 0.715 . . . . 0.0 109.88 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.486 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 36.9 t -80.56 152.64 72.96 Favored Pre-proline 0 C--O 1.215 -0.721 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.486 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.0 Cg_endo -63.24 -38.57 43.55 Favored 'Trans proline' 0 C--N 1.353 0.764 0 O-C-N 123.55 1.289 . . . . 0.0 110.819 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -71.69 -36.93 70.75 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.5 -41.77 96.24 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.591 -0.693 . . . . 0.0 109.148 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.481 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 19.8 m95 -66.03 -34.81 78.92 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.951 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.38 -42.95 87.17 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.113 -0.992 . . . . 0.0 108.772 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.5 t -59.9 -43.46 92.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 147' ' ' ILE . 62.8 t -68.69 -27.72 37.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.059 0 O-C-N 121.69 -0.631 . . . . 0.0 109.787 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.618 ' HA ' ' NE ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.21 -52.06 51.68 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.171 -0.956 . . . . 0.0 108.699 178.508 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.21 71.32 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -75.72 -30.25 59.21 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.509 -0.744 . . . . 0.0 109.996 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.4 mm -80.34 -35.29 15.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 121.414 -0.804 . . . . 0.0 109.54 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.478 ' HG3' HD22 ' A' ' 15' ' ' LEU . 31.9 ttm -73.22 -37.97 66.21 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -70.91 -48.91 51.08 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.623 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 89.4 p -61.12 -37.96 84.65 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.78 -0.575 . . . . 0.0 109.749 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.926 ' HB3' HD21 ' A' ' 15' ' ' LEU . 37.3 t80 -68.11 -41.95 81.02 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.523 -0.735 . . . . 0.0 109.591 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.3 m -65.8 -33.37 75.7 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.543 HD22 ' HG3' ' A' ' 40' ' ' GLN . 78.8 mt -69.91 -33.71 72.52 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.699 -0.626 . . . . 0.0 109.687 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.551 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 4.2 m -78.78 -27.47 44.55 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.193 -0.942 . . . . 0.0 109.591 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.556 HG21 ' HB3' ' A' ' 11' ' ' SER . 68.9 p -99.07 1.21 45.01 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.702 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 156' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.72 0 O-C-N 120.803 -1.186 . . . . 0.0 110.836 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' HG21 ' A' ' 155' ' ' THR . 37.8 m . . . . . 0 C--O 1.217 -0.649 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 21.9 tpt180 -66.82 -38.78 87.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.521 -0.737 . . . . 0.0 109.38 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' HG3' ' A' ' 16' ' ' MET . 55.3 mtm-85 -67.17 -35.33 79.45 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.341 -0.849 . . . . 0.0 109.16 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.443 ' HA ' HD12 ' A' ' 17' ' ' LEU . 32.5 m -63.27 -41.3 99.0 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.383 -0.823 . . . . 0.0 109.24 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.817 HD21 ' HB3' ' A' ' 151' ' ' PHE . 22.2 mt -71.59 -31.18 66.66 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.591 . . . . 0.0 110.07 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -66.12 -32.16 73.45 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.273 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 84' ' ' PHE . 73.1 mt -64.79 -45.57 85.73 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 15' ' ' LEU . 81.8 mt -58.74 -39.87 82.17 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.899 -0.501 . . . . 0.0 109.869 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB2' ' HE1' ' A' ' 148' ' ' MET . . . -61.16 -42.41 98.51 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.441 -0.787 . . . . 0.0 109.885 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -75.2 -24.56 57.8 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.545 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 51.0 mtp -73.41 -19.28 61.01 Favored 'General case' 0 C--O 1.207 -1.156 0 O-C-N 121.29 -0.881 . . . . 0.0 110.774 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -68.71 118.83 12.2 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 120.844 -1.16 . . . . 0.0 109.693 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.9 mptp? -96.01 -34.71 11.66 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.689 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.845 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.1 pt -118.63 170.53 7.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 O-C-N 121.498 -0.751 . . . . 0.0 110.216 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -101.29 156.68 17.3 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.536 -0.727 . . . . 0.0 110.029 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.489 ' CD1' HG22 ' A' ' 142' ' ' VAL . 62.4 tp -68.07 -30.45 69.64 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -68.22 -38.15 81.58 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -67.98 -31.04 70.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.845 ' SG ' HD12 ' A' ' 24' ' ' ILE . 36.5 m -108.36 52.78 0.7 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.586 -0.697 . . . . 0.0 109.807 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -78.71 -1.97 37.07 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.067 -1.02 . . . . 0.0 110.254 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -76.97 -29.76 55.68 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.609 ' O ' HG21 ' A' ' 142' ' ' VAL . 3.0 m-20 -106.42 21.44 17.42 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.704 -0.622 . . . . 0.0 110.147 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.65 105.2 1.82 Allowed 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.067 -1.021 . . . . 0.0 109.249 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -147.21 122.31 10.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -82.14 126.05 31.6 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.381 -0.824 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB2' ' HE1' ' A' ' 122' ' ' TYR . 46.0 m-85 -76.61 -51.13 12.18 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.4 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.42 76.0 0.72 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.1 t80 -73.19 131.09 83.68 Favored Pre-proline 0 C--O 1.217 -0.615 0 O-C-N 121.491 -1.005 . . . . 0.0 108.712 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.658 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.5 Cg_endo -82.07 74.18 5.34 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 O-C-N 123.653 1.344 . . . . 0.0 111.191 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -77.73 -14.42 59.61 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.545 178.541 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.89 -32.71 69.75 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.102 -0.999 . . . . 0.0 109.112 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.55 ' HG2' ' CA ' ' A' ' 115' ' ' SER . 1.6 tp10 -96.29 30.57 2.46 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.47 -0.768 . . . . 0.0 108.982 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.573 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 9.4 m-85 . . . . . 0 C--O 1.218 -0.574 0 O-C-N 121.399 -0.813 . . . . 0.0 108.832 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 6.1 t . . . . . 0 C--O 1.213 -0.823 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.786 HG23 HD23 ' A' ' 95' ' ' LEU . 59.4 mt -60.25 -43.11 92.69 Favored Pre-proline 0 C--O 1.214 -0.792 0 O-C-N 121.026 -1.047 . . . . 0.0 110.514 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -65.91 -29.82 49.27 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 123.133 1.07 . . . . 0.0 110.106 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.769 ' HA ' HG12 ' A' ' 116' ' ' ILE . 11.8 t -73.38 -37.04 50.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.607 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 46.7 mt -71.67 -28.66 63.88 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 121.601 -0.687 . . . . 0.0 109.437 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.48 -40.65 70.12 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.36 -0.837 . . . . 0.0 108.949 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 116' ' ' ILE . 15.8 tp10 -75.88 -33.67 59.97 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.09 -47.21 71.9 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.282 -0.886 . . . . 0.0 108.998 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.506 HG12 ' HE1' ' A' ' 151' ' ' PHE . 6.7 mt -72.84 -20.87 19.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 121.707 -0.621 . . . . 0.0 109.582 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -76.07 -34.96 59.58 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -74.99 -33.28 61.82 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.677 -0.639 . . . . 0.0 109.339 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.8 mt -76.35 -33.19 23.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' HA ' HD13 ' A' ' 88' ' ' LEU . 37.0 t80 -63.37 -44.6 94.34 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.518 -0.739 . . . . 0.0 109.431 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.751 ' O ' HG23 ' A' ' 69' ' ' THR . 20.6 t-20 -79.53 -37.9 35.5 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.487 -0.758 . . . . 0.0 109.552 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.73 -32.16 68.96 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.462 -0.774 . . . . 0.0 109.469 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.428 ' CD2' ' HE1' ' A' ' 21' ' ' MET . 9.3 m-85 -96.01 -27.86 14.92 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.639 -0.663 . . . . 0.0 109.982 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.5 t -72.63 -20.86 61.2 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 65' ' ' ASN . 29.2 p -53.52 147.57 10.76 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.981 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -61.44 -22.44 65.03 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.691 -0.631 . . . . 0.0 110.082 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -76.27 -40.73 51.06 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.361 -0.837 . . . . 0.0 109.295 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.463 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 26.4 t -78.88 -29.82 44.63 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.434 -0.791 . . . . 0.0 109.149 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.473 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 28.8 t -66.23 -36.46 83.1 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.642 -0.661 . . . . 0.0 109.219 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.32 -27.44 32.24 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.89 71.47 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.549 -0.72 . . . . 0.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 65.3 m95 -119.83 170.18 9.46 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.384 -0.822 . . . . 0.0 109.912 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -66.48 133.68 50.89 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.38 -0.825 . . . . 0.0 108.797 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.21 -30.29 71.17 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.716 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -77.68 -43.55 30.86 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.08 -1.013 . . . . 0.0 109.155 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.4 -35.72 81.34 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.7 mt -73.39 -32.53 64.51 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.42 -51.88 67.95 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HD2' HD21 ' A' ' 17' ' ' LEU . 34.0 ttmt -64.53 -34.43 78.21 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.858 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.7 t80 -63.95 -33.09 74.93 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.771 -0.58 . . . . 0.0 109.601 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -73.22 -34.11 65.73 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 121.269 -0.894 . . . . 0.0 109.236 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.7 m -66.46 -42.13 88.04 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -32.15 69.46 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 84' ' ' PHE . 75.0 mt -70.35 -38.2 74.77 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.484 -0.76 . . . . 0.0 109.787 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -78.91 -33.18 45.74 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.636 -0.665 . . . . 0.0 110.644 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -71.56 -41.78 68.65 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -31.18 68.99 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.02 -44.56 79.95 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.6 -0.687 . . . . 0.0 109.559 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -61.53 -41.8 97.86 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.637 -0.664 . . . . 0.0 109.391 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -65.18 -43.59 91.19 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.522 -0.736 . . . . 0.0 109.279 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 53' ' ' ILE . 73.8 mt . . . . . 0 C--O 1.217 -0.653 0 O-C-N 121.879 -0.513 . . . . 0.0 110.011 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.55 ' CA ' ' HG2' ' A' ' 42' ' ' GLU . 32.4 t -71.24 -40.13 71.24 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 121.267 -0.895 . . . . 0.0 108.773 178.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.769 HG12 ' HA ' ' A' ' 55' ' ' VAL . 28.0 mt -75.23 -37.88 40.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -32.24 73.84 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.658 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.26 -48.99 66.09 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.15 -26.59 40.16 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.9 ttm-85 -71.54 -44.18 65.06 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.203 -0.935 . . . . 0.0 109.886 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.13 -30.94 63.97 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.302 -0.874 . . . . 0.0 109.289 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.668 ' CE2' HD11 ' A' ' 126' ' ' ILE . 36.1 t80 -67.03 -47.93 69.88 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.563 -0.71 . . . . 0.0 109.167 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -69.25 -27.53 65.53 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.702 -0.624 . . . . 0.0 109.827 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -63.93 -40.53 96.68 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 31.6 tpt180 -67.59 -39.06 84.84 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.668 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.6 mt -59.99 -40.78 84.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 24.8 m -65.63 -42.07 91.9 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.3 tt -63.44 -37.01 85.64 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.453 -0.779 . . . . 0.0 109.443 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.432 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 19.9 t80 -64.69 -38.23 90.29 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.1 mt -66.31 -37.9 86.45 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 127' ' ' THR . 32.0 mmtp -69.12 -32.26 71.53 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.98 -50.88 60.89 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.562 -0.712 . . . . 0.0 109.997 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.553 ' HB3' ' CB ' ' A' ' 136' ' ' SER . 5.5 mptp? -83.99 4.43 29.85 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.718 -0.614 . . . . 0.0 110.022 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 54.82 48.32 20.36 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.428 -0.795 . . . . 0.0 109.231 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 58.28 56.59 4.38 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.596 -0.69 . . . . 0.0 109.881 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.553 ' CB ' ' HB3' ' A' ' 133' ' ' LYS . 46.9 t -83.95 148.94 55.2 Favored Pre-proline 0 C--O 1.216 -0.687 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.41 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.4 Cg_endo -65.26 -33.15 49.8 Favored 'Trans proline' 0 C--N 1.353 0.773 0 O-C-N 123.66 1.347 . . . . 0.0 111.176 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.98 -42.71 72.74 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.456 -0.778 . . . . 0.0 108.959 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.541 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.23 -40.04 93.55 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 17.2 m95 -63.2 -36.7 84.52 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.708 -0.62 . . . . 0.0 109.811 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.571 ' HG3' HG13 ' A' ' 24' ' ' ILE . 15.8 tm-20 -65.58 -41.99 92.25 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.609 HG21 ' O ' ' A' ' 32' ' ' ASP . 64.1 t -63.23 -35.63 72.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.5 t -75.6 -23.92 16.84 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 121.689 -0.632 . . . . 0.0 109.523 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.495 ' HA ' ' NH1' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -66.45 -54.25 26.22 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.31 78.03 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.447 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 5.8 mm-40 -70.01 -35.82 74.66 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.622 -0.674 . . . . 0.0 110.407 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -76.24 -30.98 20.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 109.869 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.423 ' HE1' ' HB2' ' A' ' 19' ' ' ALA . 30.0 ttm -72.52 -38.98 67.91 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.392 -0.818 . . . . 0.0 109.12 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -73.38 -46.85 46.54 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.539 -0.725 . . . . 0.0 109.513 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.7 m -60.91 -42.98 99.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.711 -0.618 . . . . 0.0 109.952 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.817 ' HB3' HD21 ' A' ' 15' ' ' LEU . 51.3 t80 -66.31 -41.45 89.67 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.419 -0.8 . . . . 0.0 110.103 -179.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.2 p -68.34 -31.7 71.28 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.372 -0.83 . . . . 0.0 109.438 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.439 HD22 ' HG3' ' A' ' 40' ' ' GLN . 33.2 mt -69.41 -40.94 77.0 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.456 -0.778 . . . . 0.0 109.608 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.607 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 74.4 m -73.68 -30.36 62.84 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.716 -0.615 . . . . 0.0 110.322 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.591 HG21 ' CE2' ' A' ' 151' ' ' PHE . 81.8 p -97.86 -0.75 44.48 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.217 -0.927 . . . . 0.0 111.008 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.216 -0.708 0 O-C-N 120.822 -1.174 . . . . 0.0 110.372 179.078 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' HG21 ' A' ' 155' ' ' THR . 60.9 p . . . . . 0 C--O 1.218 -0.6 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.81 -38.31 88.6 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.611 -0.681 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -70.21 -36.22 74.41 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.384 -0.823 . . . . 0.0 109.735 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.1 m -60.34 -45.58 92.95 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.429 -0.794 . . . . 0.0 109.116 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 151' ' ' PHE . 21.6 mt -67.19 -34.43 77.51 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.738 -0.601 . . . . 0.0 109.439 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -63.12 -37.93 89.16 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.315 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' A' ' 84' ' ' PHE . 85.2 mt -61.76 -43.62 98.5 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.659 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.625 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 76.8 mt -58.16 -35.05 70.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.708 -0.62 . . . . 0.0 109.839 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.37 -34.67 72.87 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.41 -0.807 . . . . 0.0 109.814 179.316 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.76 -50.32 44.46 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.314 -0.866 . . . . 0.0 110.496 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -63.78 -18.17 63.81 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.359 -0.838 . . . . 0.0 110.934 -178.581 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -52.28 109.07 0.35 Allowed 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.244 -0.91 . . . . 0.0 109.418 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 0.9 OUTLIER -92.88 -36.75 12.64 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.698 -0.626 . . . . 0.0 109.811 -179.738 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.734 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -124.07 170.38 14.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.541 -0.724 . . . . 0.0 110.002 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -104.01 159.9 15.28 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.61 -0.681 . . . . 0.0 109.875 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' HG22 ' A' ' 142' ' ' VAL . 36.7 tp -68.82 -28.11 66.46 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.669 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.16 -37.97 78.49 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.487 -0.758 . . . . 0.0 109.119 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -68.2 -28.7 67.49 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.408 -0.807 . . . . 0.0 108.885 177.294 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.734 ' SG ' HD12 ' A' ' 24' ' ' ILE . 58.2 m -109.57 51.87 0.74 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.599 -0.688 . . . . 0.0 109.96 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD23 ' HD3' ' A' ' 33' ' ' ARG . 72.2 mt -81.31 -2.67 49.94 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 179.072 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -79.02 -33.53 44.77 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.628 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.9 m-20 -111.08 25.32 11.88 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.875 -0.516 . . . . 0.0 109.779 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HD3' HD23 ' A' ' 30' ' ' LEU . 60.6 ttp180 -74.3 112.13 10.16 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 120.973 -1.079 . . . . 0.0 109.071 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -146.25 115.0 6.86 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -78.52 129.1 34.46 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 71.8 m-85 -75.27 -44.77 44.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.534 -0.729 . . . . 0.0 109.703 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.87 78.61 1.02 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 91.8 t80 -67.46 133.67 92.94 Favored Pre-proline 0 C--O 1.217 -0.61 0 O-C-N 121.621 -0.929 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.61 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.3 Cg_endo -82.43 70.82 6.8 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 O-C-N 123.718 1.378 . . . . 0.0 111.091 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -73.53 -15.71 61.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 177.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.35 -33.1 69.18 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.27 -0.894 . . . . 0.0 109.494 178.466 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.636 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 28.9 tp10 -93.84 24.37 4.23 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.326 -0.858 . . . . 0.0 109.515 178.594 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 17.1 m-85 . . . . . 0 C--O 1.213 -0.826 0 O-C-N 121.243 -0.911 . . . . 0.0 109.759 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.475 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.5 t . . . . . 0 C--O 1.213 -0.84 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.804 HG23 HD23 ' A' ' 95' ' ' LEU . 71.3 mt -60.67 -44.63 95.86 Favored Pre-proline 0 C--O 1.214 -0.803 0 O-C-N 121.159 -0.963 . . . . 0.0 110.87 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.66 -29.19 60.43 Favored 'Trans proline' 0 C--N 1.356 0.969 0 O-C-N 123.096 1.051 . . . . 0.0 109.956 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.643 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.3 t -75.52 -38.32 38.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.54 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.568 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 63.3 mt -69.25 -27.08 65.13 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 121.508 -0.745 . . . . 0.0 109.15 178.535 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -71.57 -46.02 60.59 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.322 -0.861 . . . . 0.0 109.261 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HB3' HG23 ' A' ' 116' ' ' ILE . 2.0 mp0 -76.72 -26.63 54.86 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.443 -0.785 . . . . 0.0 110.07 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.419 ' HG3' HG11 ' A' ' 119' ' ' VAL . 13.9 ttt -73.89 -44.52 55.04 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.186 -0.946 . . . . 0.0 108.869 179.19 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.423 HG12 ' HE2' ' A' ' 151' ' ' PHE . 6.5 mt -71.44 -23.8 23.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.067 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -71.67 -37.18 70.79 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 176.532 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.94 -40.12 79.17 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.656 -0.653 . . . . 0.0 109.309 178.576 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.489 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.6 mt -70.25 -30.82 44.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.647 ' HA ' HD13 ' A' ' 88' ' ' LEU . 26.1 t80 -62.65 -46.7 87.01 Favored 'General case' 0 C--O 1.21 -0.98 0 O-C-N 121.445 -0.784 . . . . 0.0 109.791 -179.148 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 69' ' ' THR . 35.4 m120 -79.63 -32.92 41.77 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.54 -0.725 . . . . 0.0 110.008 -179.024 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 130' ' ' LEU . 45.4 tp -62.41 -31.69 72.42 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.49 -0.756 . . . . 0.0 109.52 179.427 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.5 m-85 -99.18 -25.27 14.58 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.549 -0.719 . . . . 0.0 110.055 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.485 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 10.0 t -73.82 -16.55 61.14 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.985 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 65' ' ' ASN . 15.7 p -56.9 149.08 19.35 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.265 -0.897 . . . . 0.0 109.953 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.98 -24.75 68.05 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 179.3 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 7.6 m-20 -72.31 -42.98 64.84 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.492 -0.755 . . . . 0.0 109.444 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -72.08 -34.64 68.84 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.425 -0.797 . . . . 0.0 109.344 179.199 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' ' 81' ' ' LEU . 26.7 t -64.91 -31.36 72.56 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.702 -0.624 . . . . 0.0 109.59 179.239 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.44 -30.26 27.42 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.281 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.19 77.41 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.648 -0.658 . . . . 0.0 109.964 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.484 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 69.7 m95 -106.2 173.99 6.08 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -178.442 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.15 131.24 43.27 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.509 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -62.83 -27.89 69.64 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.491 -0.756 . . . . 0.0 110.625 -178.261 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -77.95 -44.08 27.87 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.093 -1.005 . . . . 0.0 108.949 179.123 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 80' ' ' LEU . 92.4 mt -63.56 -37.38 87.11 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.807 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -72.23 -32.69 66.94 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.657 -0.652 . . . . 0.0 109.244 177.78 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -56.14 -51.67 67.13 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -64.26 -34.87 79.11 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.178 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 88' ' ' LEU . 22.2 t80 -64.06 -30.79 71.84 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 121.756 -0.59 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.4 m-85 -73.81 -36.62 65.0 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.233 -0.917 . . . . 0.0 108.822 178.291 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.5 m -67.77 -38.43 83.38 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.76 -0.588 . . . . 0.0 109.637 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -71.12 -37.21 72.34 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.239 -0.913 . . . . 0.0 109.639 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 64' ' ' PHE . 75.0 mt -67.39 -38.9 85.41 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.522 -0.736 . . . . 0.0 109.737 179.286 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -77.08 -34.48 56.93 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.532 -0.73 . . . . 0.0 110.631 -177.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -71.05 -39.92 71.99 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.039 -1.038 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -68.19 -31.95 71.84 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.18 -48.49 70.52 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.63 -0.668 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -59.13 -39.28 81.85 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.677 -0.64 . . . . 0.0 110.002 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.9 -43.94 82.1 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.38 -0.825 . . . . 0.0 108.94 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.804 HD23 HG23 ' A' ' 53' ' ' ILE . 60.1 mt . . . . . 0 C--O 1.217 -0.651 0 CA-C-O 121.035 0.445 . . . . 0.0 110.068 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 . . . . . 0 C--O 1.218 -0.588 0 CA-C-O 120.676 0.274 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.636 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 6.4 t -74.14 -44.9 51.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.174 -0.954 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.643 HG12 ' HA ' ' A' ' 55' ' ' VAL . 75.6 mt -68.76 -32.51 55.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 O-C-N 121.26 -0.9 . . . . 0.0 109.13 178.652 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 117' ' ' LEU . 2.8 tt -64.83 -39.44 93.58 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.61 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -63.23 -49.17 75.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.354 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 59' ' ' MET . 95.9 t -64.4 -24.81 36.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 121.706 -0.621 . . . . 0.0 109.381 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 124' ' ' GLN . 35.2 mtt-85 -72.23 -41.48 66.77 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.214 -0.929 . . . . 0.0 109.785 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -70.13 -32.57 70.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.366 -0.834 . . . . 0.0 108.881 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 64.6 t80 -65.64 -51.24 61.13 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.46 -21.76 61.92 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 121.864 -0.523 . . . . 0.0 110.288 179.438 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 120' ' ' ARG . 35.8 tt0 -67.3 -41.36 85.51 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.023 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -68.42 -37.36 80.22 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.505 HD11 ' CE2' ' A' ' 122' ' ' TYR . 61.6 mt -65.4 -37.77 80.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 121.606 -0.684 . . . . 0.0 109.475 178.858 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.0 m -69.7 -41.65 75.1 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.471 -0.768 . . . . 0.0 109.34 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -67.96 -31.11 70.6 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.145 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 27.6 t80 -65.99 -37.9 87.12 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.41 -0.806 . . . . 0.0 109.157 178.723 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.574 ' CD1' HD11 ' A' ' 66' ' ' LEU . 71.9 mt -68.54 -41.41 79.87 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.688 -0.633 . . . . 0.0 109.439 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -69.54 -29.07 66.58 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.666 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -71.47 -49.69 38.89 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.39 -0.818 . . . . 0.0 109.967 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 14.3 mptt -82.71 3.4 29.27 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.554 -0.716 . . . . 0.0 109.805 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp 55.22 49.1 17.95 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 121.441 -0.787 . . . . 0.0 109.67 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.0 m-85 55.82 54.49 8.1 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 121.452 0.644 . . . . 0.0 110.167 179.325 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.424 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.9 t -79.58 149.86 72.18 Favored Pre-proline 0 C--O 1.215 -0.735 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.916 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.424 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.5 Cg_endo -63.04 -37.23 54.33 Favored 'Trans proline' 0 C--N 1.351 0.69 0 O-C-N 123.643 1.338 . . . . 0.0 110.744 179.349 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.66 -39.58 73.49 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -62.72 -42.24 99.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.597 -0.69 . . . . 0.0 109.169 178.895 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -65.57 -34.07 77.4 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.59 -0.693 . . . . 0.0 109.754 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.614 ' CG ' HG13 ' A' ' 24' ' ' ILE . 2.9 tm-20 -63.68 -47.6 80.56 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.302 -0.874 . . . . 0.0 108.727 179.105 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.628 HG21 ' O ' ' A' ' 32' ' ' ASP . 75.5 t -60.0 -42.63 90.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.494 HG13 ' CG2' ' A' ' 126' ' ' ILE . 64.0 t -69.05 -23.27 26.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.698 -0.626 . . . . 0.0 109.587 178.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.438 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 29.7 ttp85 -70.12 -47.89 59.85 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.193 -0.942 . . . . 0.0 108.779 179.225 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.28 71.14 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.204 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.8 -35.42 69.96 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.623 -0.673 . . . . 0.0 109.986 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 mm -77.75 -33.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 O-C-N 121.416 -0.802 . . . . 0.0 109.459 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.69 -40.17 69.72 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.416 -0.803 . . . . 0.0 108.903 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -69.36 -44.34 71.77 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.676 -0.64 . . . . 0.0 109.403 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.53 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.7 p -63.02 -41.92 99.67 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.869 -0.519 . . . . 0.0 109.957 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.748 ' HB3' HD21 ' A' ' 15' ' ' LEU . 41.1 t80 -69.41 -37.78 77.61 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.431 -0.793 . . . . 0.0 109.603 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.8 m -68.91 -34.2 75.0 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.335 -0.853 . . . . 0.0 109.313 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.442 HD13 ' HD2' ' A' ' 38' ' ' PHE . 36.5 mt -66.24 -47.6 73.22 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.286 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.568 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 71.8 m -64.71 -36.64 84.93 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.972 -0.455 . . . . 0.0 110.362 -179.072 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 11' ' ' SER . 65.5 p -90.15 -4.65 57.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.607 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.217 -0.649 0 O-C-N 121.062 -1.024 . . . . 0.0 109.89 179.149 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.82 ' HB3' HG21 ' A' ' 155' ' ' THR . 69.9 m . . . . . 0 C--O 1.217 -0.637 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.1 -38.21 87.67 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.419 -0.8 . . . . 0.0 109.557 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 66.4 ttt180 -70.18 -39.39 75.29 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.395 -0.816 . . . . 0.0 109.38 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -59.08 -42.58 90.74 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.561 -0.712 . . . . 0.0 109.15 178.68 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.918 HD21 ' HB3' ' A' ' 151' ' ' PHE . 81.4 mt -69.04 -34.09 74.66 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.735 -0.603 . . . . 0.0 109.528 178.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.9 ttp -61.61 -36.19 80.01 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 87' ' ' GLU . 79.4 mt -64.6 -44.09 91.72 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.449 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.765 HD12 HD23 ' A' ' 15' ' ' LEU . 57.0 mt -58.74 -28.89 66.29 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.957 -0.464 . . . . 0.0 110.018 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.34 -42.73 35.54 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.443 -0.785 . . . . 0.0 109.636 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.14 -29.37 69.65 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.517 -0.739 . . . . 0.0 110.243 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.673 ' HE2' ' HD2' ' A' ' 144' ' ' ARG . 5.2 ptm -90.53 31.31 1.04 Allowed 'General case' 0 C--O 1.208 -1.086 0 O-C-N 121.36 -0.838 . . . . 0.0 110.48 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -100.99 112.34 24.77 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 176.569 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 4.6 mptp? -87.96 -31.88 19.16 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.486 -0.759 . . . . 0.0 109.986 -178.168 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.939 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -129.03 169.81 19.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.503 -0.748 . . . . 0.0 110.488 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -97.76 155.43 17.03 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 109.738 -179.371 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HA ' ' OE1' ' A' ' 141' ' ' GLU . 43.4 tp -66.81 -30.31 70.47 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.651 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -70.41 -35.5 73.48 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.174 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 m -69.33 -29.92 67.86 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.939 ' SG ' HD12 ' A' ' 24' ' ' ILE . 19.6 m -106.58 50.39 0.77 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.446 -0.784 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD23 ' HD3' ' A' ' 33' ' ' ARG . 69.0 mt -80.07 -2.86 46.17 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.106 -0.996 . . . . 0.0 110.107 178.54 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -80.06 -27.26 39.4 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.099 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.594 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.6 m-20 -113.72 26.88 9.99 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.631 -0.668 . . . . 0.0 109.897 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HD3' HD23 ' A' ' 30' ' ' LEU . 58.5 ttp180 -76.0 120.61 21.56 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.069 -1.02 . . . . 0.0 108.8 179.335 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -146.55 134.46 21.35 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.531 -0.73 . . . . 0.0 109.464 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -85.8 124.32 32.17 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.562 -0.711 . . . . 0.0 109.153 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 63.7 m-85 -82.3 -50.89 8.45 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.532 -0.73 . . . . 0.0 109.673 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.43 71.73 0.76 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.54 ' HA ' ' CD1' ' A' ' 122' ' ' TYR . 84.7 t80 -74.07 135.6 76.71 Favored Pre-proline 0 C--O 1.217 -0.609 0 O-C-N 121.517 -0.99 . . . . 0.0 109.489 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.608 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.6 Cg_endo -86.24 78.41 2.15 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 O-C-N 123.877 1.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.2 tm0? -83.1 -12.92 56.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.188 -0.945 . . . . 0.0 109.573 178.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.15 -25.28 67.66 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.009 -1.057 . . . . 0.0 108.971 177.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.604 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.8 tp10 -90.72 17.11 8.04 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 177.658 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.625 ' CD2' HG21 ' A' ' 52' ' ' THR . 29.7 m-85 . . . . . 0 C--O 1.217 -0.647 0 O-C-N 121.33 -0.856 . . . . 0.0 108.805 179.555 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.625 HG21 ' CD2' ' A' ' 43' ' ' PHE . 2.0 m . . . . . 0 C--O 1.214 -0.799 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.867 HG23 HD23 ' A' ' 95' ' ' LEU . 57.0 mt -55.13 -42.15 94.4 Favored Pre-proline 0 C--O 1.212 -0.889 0 O-C-N 121.19 -0.944 . . . . 0.0 111.439 -179.012 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.5 Cg_endo -65.87 -33.11 44.11 Favored 'Trans proline' 0 C--N 1.356 0.952 0 O-C-N 123.035 1.018 . . . . 0.0 110.942 179.11 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.787 ' HA ' HG12 ' A' ' 116' ' ' ILE . 8.6 t -76.35 -37.3 31.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.647 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 69.2 mt -68.1 -31.46 71.09 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.6 -0.687 . . . . 0.0 109.206 179.238 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 60.0 t-80 -68.6 -50.49 51.13 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.683 ' HG2' HG21 ' A' ' 116' ' ' ILE . 30.0 tp10 -64.98 -37.2 86.88 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.522 -0.736 . . . . 0.0 109.588 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.5 ttt -61.05 -48.07 83.46 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.331 -0.856 . . . . 0.0 108.715 178.049 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.632 HG21 ' HG ' ' A' ' 92' ' ' LEU . 2.0 mm -57.4 -29.54 33.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.779 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -51.87 43.05 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 178.819 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -60.53 -34.88 74.77 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 121.337 -0.852 . . . . 0.0 110.413 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.496 HG23 ' CE1' ' A' ' 67' ' ' PHE . 71.1 mt -73.26 -33.53 41.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 O-C-N 121.214 -0.929 . . . . 0.0 108.543 178.38 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.696 ' HA ' HD13 ' A' ' 88' ' ' LEU . 33.7 t80 -61.74 -46.98 87.29 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.419 -0.801 . . . . 0.0 109.653 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 69' ' ' THR . 53.0 t30 -75.64 -38.32 58.96 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.638 -0.664 . . . . 0.0 109.539 -179.505 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 130' ' ' LEU . 32.4 tp -59.55 -31.98 69.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.455 -0.778 . . . . 0.0 109.213 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.496 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.0 m-85 -96.76 -18.31 19.7 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.684 -0.635 . . . . 0.0 109.906 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.3 t -86.85 -15.23 39.76 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.066 179.472 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 65' ' ' ASN . 12.4 p -54.47 148.21 12.52 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.301 -0.874 . . . . 0.0 109.814 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -63.52 -26.09 68.55 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.515 -0.741 . . . . 0.0 109.597 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.6 m-20 -72.56 -39.97 67.02 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.474 -0.766 . . . . 0.0 109.222 178.821 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.561 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 97.5 p -76.72 -31.15 56.98 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.542 -0.723 . . . . 0.0 109.814 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.501 ' HA ' HD12 ' A' ' 81' ' ' LEU . 32.5 t -68.27 -32.15 72.11 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.529 -0.732 . . . . 0.0 109.674 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.56 -21.09 28.69 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.551 -0.718 . . . . 0.0 109.46 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.08 -26.59 48.25 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.377 -0.827 . . . . 0.0 110.17 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' A' ' 21' ' ' MET . 66.4 m95 -124.69 163.49 21.93 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.348 -0.845 . . . . 0.0 109.88 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.27 129.37 40.91 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.277 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 16.0 pt-20 -62.39 -24.99 67.69 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.61 -0.681 . . . . 0.0 110.248 -179.164 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.5 m -78.72 -44.73 22.82 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.175 -0.953 . . . . 0.0 108.85 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 80' ' ' LEU . 76.9 mt -63.36 -39.92 95.85 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.838 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -70.04 -33.3 71.8 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.499 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 11.4 t70 -55.31 -52.36 63.73 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 60.2 mmtt -64.04 -32.3 73.8 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.368 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.723 ' CE2' HD11 ' A' ' 88' ' ' LEU . 27.3 t80 -64.72 -33.66 76.49 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.614 -0.678 . . . . 0.0 109.457 178.769 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -72.73 -37.08 67.86 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.205 -0.935 . . . . 0.0 109.194 178.771 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.6 m -66.87 -40.79 87.95 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.772 ' HG3' HD11 ' A' ' 17' ' ' LEU . 77.6 mm-40 -70.69 -30.0 66.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.298 -0.876 . . . . 0.0 109.456 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.723 HD11 ' CE2' ' A' ' 84' ' ' PHE . 70.7 mt -71.66 -42.1 67.92 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.526 -0.733 . . . . 0.0 109.926 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 16.6 t80 -77.11 -31.61 55.94 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.393 -0.817 . . . . 0.0 109.919 -178.852 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -69.35 -45.43 69.4 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.191 -0.943 . . . . 0.0 108.531 178.26 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.01 -28.91 68.63 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.008 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.632 ' HG ' HG21 ' A' ' 60' ' ' ILE . 10.8 mt -70.17 -34.05 72.52 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.555 -0.716 . . . . 0.0 109.385 178.061 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -71.06 -41.92 70.11 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.575 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.22 -43.29 74.37 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.363 -0.836 . . . . 0.0 109.287 179.228 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.867 HD23 HG23 ' A' ' 53' ' ' ILE . 71.2 mt . . . . . 0 C--O 1.217 -0.649 0 O-C-N 121.864 -0.522 . . . . 0.0 109.89 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.5 t70 . . . . . 0 C--O 1.216 -0.708 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.604 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 21.2 t -64.54 -42.57 95.64 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 108.962 179.145 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.787 HG12 ' HA ' ' A' ' 55' ' ' VAL . 72.5 mt -68.67 -28.52 40.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.224 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 120' ' ' ARG . 13.2 mt -69.62 -31.98 70.41 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.563 -0.71 . . . . 0.0 109.376 179.411 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.608 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -71.75 -44.33 64.25 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.063 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.58 -35.22 74.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.608 -0.683 . . . . 0.0 109.998 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 12.7 ptm180 -67.52 -33.91 76.03 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.86 -1.15 . . . . 0.0 109.281 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 120' ' ' ARG . 57.4 tttm -67.35 -36.84 82.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.458 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.4 t80 -62.28 -51.41 67.81 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.553 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.21 -26.04 67.19 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.95 -0.469 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.32 -40.05 93.22 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.186 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.49 -31.45 68.56 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 122' ' ' TYR . 41.9 mt -68.53 -38.25 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.581 -0.7 . . . . 0.0 109.465 179.096 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.8 m -68.85 -36.38 78.08 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.446 -0.784 . . . . 0.0 109.185 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 128' ' ' LEU . 12.2 tp -71.17 -38.62 72.16 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.505 -0.747 . . . . 0.0 109.43 179.092 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.1 -39.07 93.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.681 -0.637 . . . . 0.0 109.354 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 66' ' ' LEU . 70.5 mt -69.03 -39.57 79.16 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -72.68 -20.97 61.14 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.696 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.96 -50.51 19.66 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.265 -0.897 . . . . 0.0 108.767 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.603 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 5.7 mptp? -81.32 2.73 26.95 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.803 -0.561 . . . . 0.0 109.569 178.155 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 58.49 40.52 23.85 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.326 -0.859 . . . . 0.0 109.722 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 85.5 m-85 62.83 51.94 2.85 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.602 -0.687 . . . . 0.0 110.009 178.535 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.4 m -79.28 162.71 62.91 Favored Pre-proline 0 C--O 1.217 -0.614 0 O-C-N 121.456 -0.777 . . . . 0.0 109.206 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.07 -40.72 4.53 Favored 'Trans proline' 0 C--N 1.349 0.564 0 O-C-N 123.67 1.353 . . . . 0.0 111.318 -179.549 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.8 -43.22 80.19 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.445 -0.784 . . . . 0.0 109.258 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.603 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -63.15 -37.82 88.74 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.502 -0.749 . . . . 0.0 109.473 179.13 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.561 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 8.2 m95 -66.78 -40.5 88.22 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.481 -0.762 . . . . 0.0 109.961 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.594 ' HG3' HG13 ' A' ' 24' ' ' ILE . 6.6 tm-20 -65.42 -40.62 93.57 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.377 -0.827 . . . . 0.0 109.339 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 32' ' ' ASP . 45.1 t -59.4 -41.27 83.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.475 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 146' ' ' GLU . 68.0 t -72.11 -23.65 21.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 O-C-N 121.974 -0.453 . . . . 0.0 109.938 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.673 ' HD2' ' HE2' ' A' ' 21' ' ' MET . 2.4 tpp180 -70.16 -44.71 68.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 120.528 -1.357 . . . . 0.0 108.222 178.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -76.0 -18.2 59.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.699 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 0.3 OUTLIER -77.64 -34.48 53.16 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.828 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 143' ' ' VAL . 18.6 mm -77.96 -31.07 16.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.9 ttm -66.42 -47.0 74.64 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.474 -0.766 . . . . 0.0 109.354 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -49.05 65.02 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.894 -0.504 . . . . 0.0 110.033 -178.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.523 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 67.3 m -62.4 -39.42 93.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.561 -0.712 . . . . 0.0 110.136 -179.196 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.918 ' HB3' HD21 ' A' ' 15' ' ' LEU . 43.0 t80 -70.12 -36.18 74.64 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.544 -0.723 . . . . 0.0 109.419 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 66.6 m -69.46 -33.98 73.71 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.431 -0.793 . . . . 0.0 108.96 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.488 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 76.2 mt -66.32 -41.55 89.52 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.647 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 49.2 m -71.24 -35.3 71.39 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.645 -0.659 . . . . 0.0 109.964 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.82 HG21 ' HB3' ' A' ' 11' ' ' SER . 35.8 p -93.09 1.67 57.1 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.475 -0.766 . . . . 0.0 110.172 -178.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 152' ' ' SER . 57.5 t30 . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.069 -1.019 . . . . 0.0 110.589 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.737 ' HB3' HG21 ' A' ' 155' ' ' THR . 38.7 m . . . . . 0 C--O 1.218 -0.567 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -68.17 -43.79 77.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.42 -0.8 . . . . 0.0 109.974 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 21.9 mmt85 -70.7 -33.92 71.41 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.272 -0.893 . . . . 0.0 110.005 -179.632 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 84' ' ' PHE . 15.6 m -62.52 -42.85 99.79 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.397 -0.814 . . . . 0.0 109.475 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 151' ' ' PHE . 90.0 mt -68.45 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.435 -0.79 . . . . 0.0 109.596 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.73 -39.16 93.22 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.347 -0.846 . . . . 0.0 109.1 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 84' ' ' PHE . 86.1 mt -62.78 -41.89 99.45 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.286 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.696 HD12 HD23 ' A' ' 15' ' ' LEU . 50.9 mt -58.47 -35.77 72.68 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.75 -0.594 . . . . 0.0 109.68 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.64 80.82 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.536 -0.728 . . . . 0.0 109.736 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -67.67 -33.97 76.0 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.353 -0.842 . . . . 0.0 109.697 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.475 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 9.3 mtp -67.39 -19.55 65.42 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 121.428 -0.795 . . . . 0.0 110.528 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 6.6 tmm_? -46.41 118.42 1.96 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.151 -0.968 . . . . 0.0 110.463 -179.459 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -38.8 9.54 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.268 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.809 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.6 pt -133.08 170.2 20.48 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 CA-C-O 121.369 0.604 . . . . 0.0 109.679 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -87.67 147.07 25.42 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 -179.083 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.18 -33.55 76.06 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -65.57 -38.46 89.62 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.526 -0.734 . . . . 0.0 109.249 178.573 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.8 m -67.83 -24.81 65.32 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.309 -0.869 . . . . 0.0 109.134 178.278 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.809 ' SG ' HD12 ' A' ' 24' ' ' ILE . 55.4 m -108.67 47.93 0.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 O-C-N 121.547 -0.721 . . . . 0.0 109.901 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.694 HD23 ' HD3' ' A' ' 33' ' ' ARG . 83.2 mt -85.36 0.01 53.43 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.265 -0.897 . . . . 0.0 110.241 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.68 -30.34 29.32 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.367 -0.833 . . . . 0.0 109.172 178.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.652 ' O ' HG21 ' A' ' 142' ' ' VAL . 46.0 m-20 -112.73 26.91 10.08 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.651 -0.656 . . . . 0.0 109.436 178.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.694 ' HD3' HD23 ' A' ' 30' ' ' LEU . 52.0 ttp180 -86.33 117.64 25.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.123 -0.986 . . . . 0.0 109.584 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -145.19 127.99 16.31 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.73 138.53 56.32 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.674 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.6 m-85 -87.99 -43.3 11.85 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.666 -0.646 . . . . 0.0 109.846 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 64.63 0.49 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 83.6 t80 -73.45 133.67 80.25 Favored Pre-proline 0 C--O 1.217 -0.642 0 O-C-N 121.582 -0.952 . . . . 0.0 109.053 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 54.8 Cg_endo -82.51 69.61 7.28 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 O-C-N 123.766 1.403 . . . . 0.0 111.045 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.784 ' HG3' HD22 ' A' ' 153' ' ' LEU . 3.6 tm0? -74.3 -22.94 59.05 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.205 -0.935 . . . . 0.0 109.48 178.674 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -54.65 -26.29 32.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.363 -0.836 . . . . 0.0 109.372 178.143 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' CD ' ' HA ' ' A' ' 115' ' ' SER . 31.8 tt0 -98.17 34.23 2.0 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.21 178.733 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 20.2 m-85 . . . . . 0 C--O 1.217 -0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.228 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 14.6 t . . . . . 0 C--O 1.215 -0.747 0 CA-C-O 120.754 0.312 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 49.4 mt -57.93 -42.86 97.47 Favored Pre-proline 0 C--O 1.213 -0.851 0 O-C-N 121.054 -1.029 . . . . 0.0 110.589 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.79 -26.42 52.61 Favored 'Trans proline' 0 C--N 1.356 0.967 0 O-C-N 123.214 1.113 . . . . 0.0 110.573 178.852 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.769 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.49 -44.6 47.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 60' ' ' ILE . 32.2 mt -62.82 -38.94 92.72 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' CD2' HD23 ' A' ' 92' ' ' LEU . 57.0 t-80 -59.4 -50.66 73.1 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.762 -0.586 . . . . 0.0 109.94 -179.112 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.642 ' HG2' HG21 ' A' ' 116' ' ' ILE . 1.1 mp0 -66.22 -28.73 68.96 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.308 -0.87 . . . . 0.0 109.626 179.68 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.7 ttm -67.34 -39.13 85.76 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 121.338 -0.851 . . . . 0.0 108.706 177.548 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.739 HG21 ' HG ' ' A' ' 92' ' ' LEU . 25.1 mm -68.23 -29.65 45.13 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.326 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -73.68 -38.26 64.97 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.65 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -70.28 -36.83 74.63 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.61 HG23 ' CE1' ' A' ' 67' ' ' PHE . 84.2 mt -76.16 -29.49 19.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.698 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.527 ' HA ' HD13 ' A' ' 88' ' ' LEU . 39.3 t80 -64.82 -45.95 84.04 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.293 -0.879 . . . . 0.0 109.381 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' THR . 74.4 m-80 -78.92 -34.29 44.71 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.575 -0.703 . . . . 0.0 109.851 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 130' ' ' LEU . 43.7 tp -62.5 -30.61 71.4 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.61 ' CE1' HG23 ' A' ' 63' ' ' ILE . 15.8 m-85 -98.92 -17.59 18.28 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.603 -0.685 . . . . 0.0 109.859 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 15.0 t -85.64 -18.94 31.81 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.204 -0.935 . . . . 0.0 109.912 178.867 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' ASN . 3.3 p -53.32 149.34 7.51 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.382 -0.824 . . . . 0.0 109.915 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.43 -26.3 68.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.575 -0.703 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.478 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.2 p30 -74.66 -27.35 60.39 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.544 -0.723 . . . . 0.0 110.018 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.541 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 85.7 p -92.09 -29.72 16.39 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.264 -0.897 . . . . 0.0 109.728 179.472 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.4 t -66.53 -30.22 70.49 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.476 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.74 -25.88 26.17 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.601 -0.687 . . . . 0.0 109.213 178.183 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -32.78 70.67 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.507 -0.746 . . . . 0.0 110.035 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -118.67 167.47 11.62 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.688 -0.633 . . . . 0.0 109.398 -178.633 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.49 134.66 53.89 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.232 -0.918 . . . . 0.0 108.906 178.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -23.47 65.82 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -179.013 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -79.88 -45.99 17.63 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.093 -1.004 . . . . 0.0 108.594 178.533 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 80.7 mt -62.39 -38.51 89.88 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.03 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 81' ' ' LEU . 11.7 mt -70.2 -34.58 73.11 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.662 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.28 -53.13 57.95 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.723 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 53.2 mmtt -65.24 -31.09 72.07 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.323 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.796 ' HA ' HD13 ' A' ' 17' ' ' LEU . 32.1 t80 -65.23 -31.62 72.87 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.599 -0.688 . . . . 0.0 109.239 178.525 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.5 -36.8 65.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.19 -0.944 . . . . 0.0 109.008 178.179 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -68.52 -38.38 80.86 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.651 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -34.31 72.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.456 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.764 HD11 ' CE2' ' A' ' 84' ' ' PHE . 46.4 mt -71.1 -41.47 70.54 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.67 -0.644 . . . . 0.0 109.513 179.222 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.94 -30.73 64.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.589 -0.694 . . . . 0.0 110.494 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.64 -52.35 15.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.137 -0.977 . . . . 0.0 109.616 -179.518 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.839 HE22 ' HZ ' ' A' ' 151' ' ' PHE . 9.6 pt20 -66.27 -21.98 66.3 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.802 179.011 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.739 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.2 mt -67.12 -46.8 73.04 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 176.803 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.08 -43.47 91.8 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.22 -40.13 95.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.41 -0.806 . . . . 0.0 109.672 178.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 53' ' ' ILE . 73.0 mt . . . . . 0 C--O 1.217 -0.621 0 O-C-N 121.571 -0.706 . . . . 0.0 109.753 179.256 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--O 1.214 -0.778 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.415 ' OG ' HG22 ' A' ' 55' ' ' VAL . 4.7 p -64.36 -46.51 83.09 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.501 -0.749 . . . . 0.0 109.342 178.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.769 HG12 ' HA ' ' A' ' 55' ' ' VAL . 74.5 mt -69.27 -34.5 63.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 O-C-N 121.565 -0.71 . . . . 0.0 109.252 178.482 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.94 71.31 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.449 ' HB1' ' CG ' ' A' ' 39' ' ' PRO . . . -69.18 -48.54 61.9 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.297 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.04 -26.79 39.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.707 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -69.37 -45.0 70.37 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.369 -0.832 . . . . 0.0 109.533 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -70.17 -31.8 69.44 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.531 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.748 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.5 t80 -63.48 -50.75 68.46 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.555 -0.716 . . . . 0.0 109.353 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -68.68 -28.54 66.95 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.652 -0.655 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.86 -40.85 98.75 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.265 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -68.13 -37.14 80.75 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.496 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.748 HD11 ' CE2' ' A' ' 122' ' ' TYR . 53.4 mt -62.04 -38.01 79.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.517 -0.739 . . . . 0.0 109.271 178.793 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 37.4 m -67.8 -36.97 81.37 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.481 -0.762 . . . . 0.0 109.658 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.3 -44.1 72.48 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.461 -0.774 . . . . 0.0 109.861 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -58.93 -38.43 78.96 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.556 -0.715 . . . . 0.0 109.308 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.47 HD22 ' CE2' ' A' ' 140' ' ' TRP . 45.3 mt -64.66 -45.0 88.59 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.19 -20.34 63.12 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.413 -0.805 . . . . 0.0 109.719 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.53 -50.84 33.44 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.35 -0.844 . . . . 0.0 108.83 178.665 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -81.84 4.01 23.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.801 -0.562 . . . . 0.0 109.72 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 60.66 40.54 16.34 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.519 -0.738 . . . . 0.0 109.407 -179.486 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 58.3 m-85 61.51 55.95 2.68 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.665 0.745 . . . . 0.0 109.586 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.449 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 32.1 t -79.96 151.31 73.21 Favored Pre-proline 0 C--O 1.216 -0.705 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.449 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.09 -35.98 50.49 Favored 'Trans proline' 0 C--N 1.352 0.739 0 O-C-N 123.633 1.333 . . . . 0.0 110.913 179.499 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.79 -39.22 70.05 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.417 -0.802 . . . . 0.0 108.894 177.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -64.31 -40.36 95.75 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.656 -0.652 . . . . 0.0 109.241 178.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.541 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.9 m95 -66.46 -32.21 73.43 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.501 -0.75 . . . . 0.0 109.693 178.909 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.523 ' HG2' HG13 ' A' ' 24' ' ' ILE . 2.5 tp10 -69.79 -35.2 74.68 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.365 -0.834 . . . . 0.0 108.797 178.568 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.652 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.7 t -67.97 -36.43 75.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.79 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.47 HG21 HD21 ' A' ' 130' ' ' LEU . 65.5 t -76.46 -25.59 16.4 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 121.708 -0.62 . . . . 0.0 109.844 178.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 145' ' ' ALA . 4.7 ptt85 -67.41 -49.62 63.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.137 -0.977 . . . . 0.0 108.369 178.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' A' ' 144' ' ' ARG . . . -65.41 -34.27 77.91 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.411 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.41 -31.18 66.95 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.574 -0.704 . . . . 0.0 109.75 179.275 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 143' ' ' VAL . 15.0 mm -77.95 -35.23 20.33 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 121.171 -0.956 . . . . 0.0 109.092 178.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.491 ' HG3' HD22 ' A' ' 15' ' ' LEU . 29.6 ttm -67.81 -42.17 81.97 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.441 -0.787 . . . . 0.0 109.013 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -69.39 -52.92 22.42 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.904 -0.498 . . . . 0.0 109.698 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.507 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 66.0 m -60.18 -35.82 76.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 122.005 -0.434 . . . . 0.0 110.019 -179.387 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.839 ' HZ ' HE22 ' A' ' 91' ' ' GLN . 42.7 t80 -72.2 -38.51 69.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.476 -0.765 . . . . 0.0 109.148 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.529 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 72.3 m -67.12 -30.27 70.24 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.04 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.784 HD22 ' HG3' ' A' ' 40' ' ' GLN . 74.6 mt -71.84 -41.34 68.25 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.821 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.579 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 27.1 m -68.14 -35.0 77.38 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.631 -0.668 . . . . 0.0 109.622 179.348 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.737 HG21 ' HB3' ' A' ' 11' ' ' SER . 45.5 p -95.12 1.34 54.87 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.489 -0.757 . . . . 0.0 109.542 179.319 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 156' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.0 t-20 . . . . . 0 C--O 1.21 -1.008 0 O-C-N 121.35 -0.844 . . . . 0.0 110.764 -179.408 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -39.42 78.53 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.719 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -76.39 -39.93 52.35 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.231 -0.918 . . . . 0.0 109.733 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.429 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 92.8 m -63.4 -45.6 90.3 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.431 -0.793 . . . . 0.0 109.322 179.339 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 18' ' ' LEU . 38.4 mt -67.55 -30.04 69.57 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.623 -0.673 . . . . 0.0 109.309 178.881 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -64.86 -37.87 89.07 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.3 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' ' 84' ' ' PHE . 96.0 mt -62.83 -41.08 99.19 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.696 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.641 HD12 HD23 ' A' ' 15' ' ' LEU . 82.1 mt -62.1 -35.09 77.65 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.621 -0.674 . . . . 0.0 109.503 179.472 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.5 66.56 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.465 -0.772 . . . . 0.0 109.607 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -67.6 -24.95 65.55 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.451 -0.781 . . . . 0.0 109.669 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.675 ' HG2' ' CE3' ' A' ' 76' ' ' TRP . 41.3 ttm -59.56 -34.6 72.89 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -53.38 110.54 0.57 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.591 -0.693 . . . . 0.0 110.154 -179.451 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -94.15 -39.32 10.63 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.462 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.966 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.1 pt -109.44 170.3 3.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.155 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.1 m -93.8 145.57 24.5 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.482 -0.761 . . . . 0.0 109.265 179.544 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -62.95 -31.71 72.87 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.61 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -66.1 -37.6 86.16 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.528 -0.733 . . . . 0.0 109.027 178.071 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -65.23 -28.13 69.15 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.279 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.966 ' SG ' HD12 ' A' ' 24' ' ' ILE . 64.8 m -112.2 53.53 0.73 Allowed 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.673 -0.642 . . . . 0.0 110.126 -178.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 52.7 mt -85.64 7.59 22.73 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.122 -0.986 . . . . 0.0 110.127 178.659 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.76 -36.96 56.73 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.406 -0.809 . . . . 0.0 108.972 179.055 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.769 ' O ' HG21 ' A' ' 142' ' ' VAL . 0.4 OUTLIER -114.12 26.97 9.85 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.058 178.884 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 52.9 ttp180 -72.82 122.11 21.03 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.003 -1.061 . . . . 0.0 109.415 179.387 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' HG11 ' A' ' 142' ' ' VAL . 37.2 p-80 -163.16 164.84 25.07 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.455 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -106.06 120.56 42.12 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.474 -0.766 . . . . 0.0 109.205 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.538 ' HE1' ' HB2' ' A' ' 129' ' ' TYR . 54.1 m-85 -65.23 -46.19 81.62 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.345 179.124 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.69 68.22 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.7 t80 -71.6 131.94 85.83 Favored Pre-proline 0 C--O 1.217 -0.653 0 O-C-N 121.519 -0.989 . . . . 0.0 108.934 179.369 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.57 ' CG ' ' HB1' ' A' ' 118' ' ' ALA . 52.3 Cg_endo -81.53 70.65 7.23 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 O-C-N 123.722 1.38 . . . . 0.0 110.952 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.54 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -73.69 -19.99 60.66 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.272 -0.893 . . . . 0.0 109.347 178.478 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -29.08 67.1 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 108.874 177.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -96.43 29.98 2.71 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.053 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 4.6 m-85 . . . . . 0 C--O 1.216 -0.675 0 O-C-N 121.323 -0.861 . . . . 0.0 110.145 -179.382 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.494 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.211 -0.971 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.728 HG23 HD23 ' A' ' 95' ' ' LEU . 37.3 mt -52.69 -45.69 96.5 Favored Pre-proline 0 C--O 1.212 -0.896 0 O-C-N 121.295 -0.878 . . . . 0.0 111.578 -178.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -63.9 -31.23 67.52 Favored 'Trans proline' 0 C--N 1.356 0.963 0 O-C-N 123.138 1.073 . . . . 0.0 110.44 179.107 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.741 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.8 t -78.09 -33.46 18.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.618 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.625 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.2 mt -72.93 -28.26 62.35 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.463 -0.773 . . . . 0.0 109.554 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -76.31 -43.52 40.98 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.27 -179.132 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.1 tp10 -72.78 -33.67 66.44 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 109.403 179.317 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.8 ttt -71.43 -42.55 68.12 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.379 -0.826 . . . . 0.0 109.261 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.631 HG23 HD22 ' A' ' 88' ' ' LEU . 28.5 mt -71.01 -23.57 23.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.221 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -72.68 -33.77 66.75 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.51 -36.23 68.32 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.803 -0.561 . . . . 0.0 109.542 178.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.44 HG23 ' CE1' ' A' ' 67' ' ' PHE . 79.0 mt -75.52 -31.42 23.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 121.301 -0.874 . . . . 0.0 108.681 178.067 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.523 ' HA ' HD13 ' A' ' 88' ' ' LEU . 48.1 t80 -63.63 -43.83 95.65 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 121.647 -0.658 . . . . 0.0 109.402 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.726 ' O ' HG23 ' A' ' 69' ' ' THR . 21.0 t-20 -80.34 -39.09 29.27 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.591 -0.693 . . . . 0.0 109.589 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 tp -57.98 -31.86 67.31 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.485 -0.759 . . . . 0.0 109.246 178.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.44 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.8 m-85 -94.52 -28.5 15.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -74.98 -15.74 60.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.308 -0.87 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 65' ' ' ASN . 22.2 p -57.34 153.39 12.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.188 -0.945 . . . . 0.0 109.922 -179.787 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 3.2 tppp? -64.86 -21.07 66.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.618 -0.676 . . . . 0.0 109.69 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.37 -40.83 49.99 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.409 -0.807 . . . . 0.0 109.62 179.222 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.465 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 25.5 t -80.02 -32.62 39.58 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.512 -0.742 . . . . 0.0 110.188 -179.649 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 83.3 p -65.1 -37.06 86.26 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.405 -0.809 . . . . 0.0 109.434 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.39 -19.83 35.32 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.46 58.78 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.466 -0.771 . . . . 0.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.675 ' CE3' ' HG2' ' A' ' 21' ' ' MET . 79.7 m95 -119.59 173.75 6.82 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.512 -0.743 . . . . 0.0 109.812 -178.444 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -68.89 130.87 44.02 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -28.1 69.86 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.514 -0.742 . . . . 0.0 110.593 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.8 m -77.76 -44.07 28.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.165 -0.959 . . . . 0.0 108.935 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 80' ' ' LEU . 92.2 mt -63.21 -38.4 91.02 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.735 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.588 HD21 ' HE1' ' A' ' 21' ' ' MET . 11.0 mt -71.21 -33.02 69.53 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 121.643 -0.661 . . . . 0.0 109.252 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.71 -53.14 61.17 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.583 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.14 -31.06 72.06 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.237 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 88' ' ' LEU . 25.8 t80 -66.6 -30.97 71.38 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.662 -0.649 . . . . 0.0 109.608 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.07 -36.3 59.04 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.12 -0.987 . . . . 0.0 109.136 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.2 m -68.22 -39.75 82.28 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.587 -0.696 . . . . 0.0 109.572 -179.462 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -71.42 -33.92 69.85 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.604 179.249 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 84' ' ' PHE . 65.2 mt -67.87 -40.87 83.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 121.41 -0.806 . . . . 0.0 109.316 178.696 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -72.37 -34.47 67.97 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.542 -0.724 . . . . 0.0 110.331 -179.276 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.69 -51.46 62.37 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.235 -0.916 . . . . 0.0 109.182 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -67.17 -27.49 67.33 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.329 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.1 mt -69.15 -34.58 75.21 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.482 -0.761 . . . . 0.0 109.456 178.341 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.25 -39.06 68.72 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.38 -39.25 81.83 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 109.252 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.728 HD23 HG23 ' A' ' 53' ' ' ILE . 54.3 mt . . . . . 0 C--O 1.216 -0.69 0 O-C-N 121.734 -0.604 . . . . 0.0 110.348 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.214 -0.778 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.718 ' HB3' HG21 ' A' ' 55' ' ' VAL . 20.6 t -66.89 -35.56 80.28 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.878 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.741 HG12 ' HA ' ' A' ' 55' ' ' VAL . 58.3 mt -70.13 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.394 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -35.61 78.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.57 ' HB1' ' CG ' ' A' ' 39' ' ' PRO . . . -65.68 -44.05 87.4 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.857 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 81.4 t -66.88 -24.38 32.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.521 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.35 -46.54 69.88 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.407 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 121' ' ' LYS . 75.4 mmtt -70.39 -30.94 67.97 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.346 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.67 ' CE2' HD11 ' A' ' 126' ' ' ILE . 61.7 t80 -65.94 -48.81 70.12 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.545 -0.722 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -71.67 -22.31 61.68 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.727 -0.608 . . . . 0.0 110.015 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.03 -40.02 82.99 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.303 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -69.52 -38.99 77.79 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.67 HD11 ' CE2' ' A' ' 122' ' ' TYR . 68.6 mt -62.1 -41.95 93.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 O-C-N 121.637 -0.665 . . . . 0.0 109.555 178.84 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.415 ' HA ' HD12 ' A' ' 130' ' ' LEU . 91.0 m -67.56 -39.83 84.92 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.411 -0.806 . . . . 0.0 109.571 -179.535 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.8 -47.17 84.62 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.47 -0.769 . . . . 0.0 110.17 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.538 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 11.3 t80 -60.77 -35.0 75.31 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.482 -0.761 . . . . 0.0 109.398 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.429 HD21 HG21 ' A' ' 143' ' ' VAL . 36.5 mt -67.39 -39.74 85.61 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.587 -0.696 . . . . 0.0 109.227 178.617 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' HE3' HG22 ' A' ' 127' ' ' THR . 76.3 mttt -71.94 -25.74 62.0 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.283 -0.886 . . . . 0.0 109.611 178.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.37 -51.33 30.66 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.389 -0.819 . . . . 0.0 109.557 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -80.83 2.87 24.56 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.6 -0.687 . . . . 0.0 109.722 178.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 60.71 39.63 17.22 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.076 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 61.32 50.51 4.72 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.582 -0.699 . . . . 0.0 110.312 177.791 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.481 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.7 m -79.62 162.98 61.02 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.403 -0.81 . . . . 0.0 109.123 178.186 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -67.97 -37.63 14.76 Favored 'Trans proline' 0 C--N 1.351 0.677 0 O-C-N 123.637 1.335 . . . . 0.0 111.455 -179.241 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.46 -42.15 71.86 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.324 -0.86 . . . . 0.0 109.24 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.76 -37.74 85.42 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.465 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 20.2 m95 -68.29 -33.04 73.62 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.546 -0.721 . . . . 0.0 109.726 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -63.46 -40.32 96.8 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.342 -0.848 . . . . 0.0 108.909 178.529 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 32' ' ' ASP . 78.0 t -65.13 -44.44 95.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.139 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.597 HG13 ' CG2' ' A' ' 126' ' ' ILE . 88.1 t -69.23 -22.14 25.66 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 O-C-N 121.934 -0.479 . . . . 0.0 110.074 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.45 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 25.4 ttp85 -72.51 -47.04 51.69 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.972 -1.08 . . . . 0.0 108.823 179.229 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.88 -34.38 77.66 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.459 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 53.8 mm-40 -70.68 -37.06 73.61 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.802 -0.561 . . . . 0.0 110.069 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 11.8 mm -73.17 -34.7 45.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.364 -0.835 . . . . 0.0 109.619 179.283 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.1 ttm -70.69 -38.99 73.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.447 -0.783 . . . . 0.0 109.203 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -70.49 -46.32 63.96 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 121.6 -0.687 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.525 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.3 p -63.69 -39.63 94.81 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.667 -0.645 . . . . 0.0 110.011 -179.455 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' A' ' 15' ' ' LEU . 19.9 t80 -72.14 -36.4 69.34 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.466 -0.771 . . . . 0.0 110.02 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 79.1 p -70.94 -33.58 70.63 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.385 -0.822 . . . . 0.0 108.94 178.643 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.54 HD22 ' HG3' ' A' ' 40' ' ' GLN . 41.4 mt -67.89 -40.03 83.58 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.584 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 154' ' ' SER . . . . . 0.625 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 67.7 m -70.26 -36.94 74.78 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.82 -0.55 . . . . 0.0 110.275 -179.007 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.8 p -94.69 1.61 55.52 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.538 -179.307 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.214 -0.81 0 O-C-N 121.04 -1.037 . . . . 0.0 111.16 -179.23 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.601 ' HB3' ' HB ' ' A' ' 103' ' ' VAL . 1.4 p . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 121.505 0.669 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -149.0 56.89 1.02 Allowed 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.847 HD21 HG21 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -96.76 -55.22 0.21 Allowed Pre-proline 0 C--O 1.217 -0.627 0 O-C-N 121.633 -0.667 . . . . 0.0 109.257 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 52.3 Cg_endo -81.85 113.2 2.46 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 123.242 1.127 . . . . 0.0 110.082 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -122.87 67.11 0.96 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.475 -0.766 . . . . 0.0 109.442 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.4 p -133.98 -74.43 0.48 Allowed 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.401 -0.812 . . . . 0.0 109.449 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -126.33 -179.55 4.8 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.277 -0.89 . . . . 0.0 109.71 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -157.91 24.12 0.27 Allowed 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.637 -0.665 . . . . 0.0 110.094 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.9 mt -119.0 37.29 4.16 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.383 -0.823 . . . . 0.0 109.496 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.31 -30.37 50.26 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.657 ' HB2' HG21 ' A' ' 155' ' ' THR . 79.3 p -66.57 -40.05 88.78 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.398 -1.06 . . . . 0.0 109.891 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.05 -36.77 84.67 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.505 -0.747 . . . . 0.0 109.191 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 62.7 mtt85 -71.8 -37.06 70.45 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.399 -0.813 . . . . 0.0 109.492 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.428 HG22 ' HE1' ' A' ' 84' ' ' PHE . 13.0 m -59.42 -42.92 92.95 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.432 -0.792 . . . . 0.0 109.251 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.942 HD23 HD12 ' A' ' 18' ' ' LEU . 91.6 mt -74.46 -32.84 62.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.618 -0.676 . . . . 0.0 109.632 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.3 ttp -61.64 -35.08 76.9 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 84' ' ' PHE . 90.0 mt -67.46 -45.66 75.34 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.942 HD12 HD23 ' A' ' 15' ' ' LEU . 55.5 mt -58.72 -30.86 67.78 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.618 ' O ' ' HG2' ' A' ' 22' ' ' ARG . . . -70.02 -50.02 45.56 Favored 'General case' 0 C--O 1.211 -0.956 0 O-C-N 121.52 -0.737 . . . . 0.0 109.722 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -68.51 -21.0 64.61 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 120.986 -1.071 . . . . 0.0 109.898 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.559 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 53.7 mtp -73.39 -26.52 61.03 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.423 -0.798 . . . . 0.0 111.202 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 19.5 ptt-85 -64.27 124.18 21.05 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 120.702 -1.249 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.5 mptm? -90.67 -36.37 14.39 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.001 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pt -115.9 170.49 5.69 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 CA-C-O 121.399 0.619 . . . . 0.0 109.363 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -97.03 154.07 17.54 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.648 -0.657 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD21 ' NE ' ' A' ' 33' ' ' ARG . 52.8 tp -63.22 -29.62 70.92 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -68.82 -38.13 79.66 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -66.51 -27.89 68.13 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.449 -0.782 . . . . 0.0 108.896 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.001 ' SG ' HD12 ' A' ' 24' ' ' ILE . 35.5 m -112.84 53.37 0.75 Allowed 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.424 -0.798 . . . . 0.0 110.214 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.6 mt -83.03 3.18 31.38 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.172 -0.955 . . . . 0.0 109.816 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -81.86 -31.4 31.58 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.418 -0.801 . . . . 0.0 108.938 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.646 ' O ' HG21 ' A' ' 142' ' ' VAL . 66.7 m-20 -102.99 21.86 14.96 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.676 -0.64 . . . . 0.0 109.752 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' NE ' HD21 ' A' ' 26' ' ' LEU . 14.7 tpp85 -62.46 115.28 4.09 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.103 -0.998 . . . . 0.0 109.284 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -154.59 108.4 2.93 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -75.45 112.92 12.26 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.554 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 51.5 m-85 -63.44 -37.79 88.66 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.578 -0.701 . . . . 0.0 109.437 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.76 74.62 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 79.0 t80 -61.84 132.5 93.42 Favored Pre-proline 0 C--O 1.216 -0.666 0 O-C-N 121.543 -0.974 . . . . 0.0 108.46 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.836 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 49.8 Cg_endo -80.89 76.38 4.55 Favored 'Trans proline' 0 C--N 1.349 0.582 0 O-C-N 123.732 1.385 . . . . 0.0 110.857 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.526 ' OE1' HD22 ' A' ' 153' ' ' LEU . 4.9 tt0 -81.52 -4.7 56.7 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.381 -0.824 . . . . 0.0 109.326 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.03 -32.32 69.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.147 -0.97 . . . . 0.0 108.731 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 115' ' ' SER . 2.2 tp10 -99.22 23.21 9.45 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.567 -0.708 . . . . 0.0 109.311 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.612 ' O ' HD21 ' A' ' 157' ' ' LEU . 32.4 m-85 -137.35 23.44 2.97 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.373 -0.83 . . . . 0.0 109.302 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -122.86 -16.23 3.71 Favored Glycine 0 CA--C 1.536 1.353 0 O-C-N 120.939 -1.101 . . . . 0.0 111.394 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -151.23 138.63 19.46 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.055 -1.262 . . . . 0.0 109.801 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 68.02 33.61 4.49 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.214 0.531 . . . . 0.0 109.854 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.66 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 71.0 m-85 -148.09 44.27 1.06 Allowed 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.182 -0.948 . . . . 0.0 109.248 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.602 ' CG ' HD12 ' A' ' 157' ' ' LEU . 70.7 mt-30 -138.37 31.2 2.36 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.414 -0.804 . . . . 0.0 109.95 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -150.28 58.32 0.96 Allowed 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.392 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 59.09 34.71 23.53 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.473 -0.767 . . . . 0.0 109.717 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -30.05 6.73 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.307 -0.87 . . . . 0.0 109.819 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.66 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 8.8 t -100.0 5.11 45.13 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.352 -0.842 . . . . 0.0 109.922 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.766 HG23 HD23 ' A' ' 95' ' ' LEU . 56.7 mt -57.17 -43.48 99.27 Favored Pre-proline 0 C--O 1.215 -0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 110.128 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -65.06 -25.69 58.59 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 123.08 1.042 . . . . 0.0 110.163 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.825 ' HA ' HG12 ' A' ' 116' ' ' ILE . 17.0 t -77.23 -41.14 30.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.9 mt -66.29 -30.47 70.9 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -69.39 -49.69 52.94 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.449 -0.782 . . . . 0.0 109.48 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.568 ' HG3' HD13 ' A' ' 116' ' ' ILE . 8.1 mm-40 -68.3 -30.03 68.94 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.739 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.453 ' HE1' ' O ' ' A' ' 150' ' ' SER . 3.0 ttt -67.41 -50.75 58.12 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.628 HG23 ' CD2' ' A' ' 88' ' ' LEU . 13.7 mt -66.63 -21.28 28.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 121.623 -0.673 . . . . 0.0 109.472 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.0 -40.13 63.16 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.48 -35.84 78.09 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.493 -0.755 . . . . 0.0 109.463 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.51 HG23 ' CE1' ' A' ' 67' ' ' PHE . 81.0 mt -73.53 -32.52 36.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.65 ' HA ' HD13 ' A' ' 88' ' ' LEU . 51.7 t80 -62.16 -42.78 99.59 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.734 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.746 ' O ' HG23 ' A' ' 69' ' ' THR . 55.8 t30 -80.2 -40.22 27.61 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.518 -0.739 . . . . 0.0 109.57 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 130' ' ' LEU . 32.0 tp -56.88 -32.46 65.88 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.479 -0.763 . . . . 0.0 109.428 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.51 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.8 m-85 -96.24 -27.15 15.14 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.629 -0.67 . . . . 0.0 110.073 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.472 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 22.9 t -72.63 -23.03 60.87 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.254 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 65' ' ' ASN . 36.1 p -53.09 146.66 10.93 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.758 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -62.26 -20.62 64.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.524 -0.735 . . . . 0.0 109.928 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.06 -39.97 60.56 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.435 -0.791 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -83.26 -28.1 29.4 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.503 -0.748 . . . . 0.0 109.404 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.516 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 30.9 t -67.62 -33.88 75.87 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.462 -0.774 . . . . 0.0 109.196 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.37 26.97 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.15 62.78 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 63.7 m95 -122.67 166.84 14.24 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.485 -0.759 . . . . 0.0 109.779 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.21 129.21 39.73 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -61.8 -24.37 66.81 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.603 -0.685 . . . . 0.0 110.316 -179.529 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -80.69 -45.83 16.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.157 -0.964 . . . . 0.0 108.828 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 80' ' ' LEU . 87.6 mt -62.51 -35.5 79.58 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 81' ' ' LEU . 11.3 mt -74.28 -34.41 63.55 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 55.9 t0 -55.0 -52.86 61.82 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -65.39 -33.6 76.34 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.838 ' CE2' HD11 ' A' ' 88' ' ' LEU . 36.6 t80 -65.51 -28.37 69.14 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -76.03 -39.11 56.35 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.04 -1.038 . . . . 0.0 108.872 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.9 m -68.27 -33.41 74.31 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.626 -0.671 . . . . 0.0 109.192 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 14' ' ' THR . 16.1 tp10 -74.22 -38.02 63.68 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.51 -0.744 . . . . 0.0 109.087 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.838 HD11 ' CE2' ' A' ' 84' ' ' PHE . 74.6 mt -65.09 -39.6 93.42 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.478 -0.764 . . . . 0.0 109.078 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.496 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -75.21 -24.82 57.81 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.537 -0.727 . . . . 0.0 109.78 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -71.21 -49.4 43.88 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.191 -0.943 . . . . 0.0 108.573 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.13 -28.12 67.04 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 15.6 mt -72.16 -33.63 67.86 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.297 -0.877 . . . . 0.0 109.498 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.38 -43.14 67.46 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 109.376 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -67.69 -46.82 71.21 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.508 -0.745 . . . . 0.0 109.114 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.766 HD23 HG23 ' A' ' 53' ' ' ILE . 77.3 mt -60.05 -33.13 71.62 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.918 -0.489 . . . . 0.0 109.931 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.534 ' O ' HG12 ' A' ' 100' ' ' ILE . 88.7 tt0 -76.73 -38.58 54.0 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.43 -0.794 . . . . 0.0 110.079 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.16 -47.45 35.02 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.785 -0.572 . . . . 0.0 110.457 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.559 ' O ' HG23 ' A' ' 103' ' ' VAL . 65.0 m -62.18 -42.97 99.78 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.376 -0.828 . . . . 0.0 109.204 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.64 -30.81 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 121.704 -0.623 . . . . 0.0 110.419 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 96' ' ' GLU . 44.4 mm -58.47 -56.26 17.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.404 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.808 ' HB2' HG22 ' A' ' 103' ' ' VAL . 23.2 mm100 -74.83 173.94 9.9 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 121.48 -0.762 . . . . 0.0 109.284 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.0 -26.21 60.63 Favored Glycine 0 CA--C 1.537 1.455 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.847 HG21 HD21 ' A' ' 3' ' ' LEU . 16.4 m -57.73 166.7 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 O-C-N 121.594 -0.945 . . . . 0.0 110.158 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.4 -62.08 3.51 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 105' ' ' VAL . 34.4 m -102.68 116.49 46.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 O-C-N 121.798 -0.825 . . . . 0.0 108.845 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.3 p -125.67 -159.29 0.89 Allowed 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.415 -0.803 . . . . 0.0 109.247 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.99 -27.65 8.19 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.503 -0.748 . . . . 0.0 110.104 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.1 m -38.98 125.47 1.23 Allowed Pre-proline 0 C--O 1.218 -0.571 0 O-C-N 121.939 -0.476 . . . . 0.0 110.193 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.481 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 43.0 Cg_endo -69.84 174.38 9.65 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 O-C-N 124.136 1.598 . . . . 0.0 111.154 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 110' ' ' LEU . 76.6 mt -53.22 -8.94 0.13 Allowed 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.847 -0.533 . . . . 0.0 111.746 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.481 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 14.4 ptm -48.95 -29.8 5.21 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 120.959 -1.088 . . . . 0.0 110.175 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -58.08 -27.92 64.1 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.333 -0.855 . . . . 0.0 110.004 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.89 -28.44 69.54 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 121.492 -0.755 . . . . 0.0 110.082 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -54.44 -33.46 59.55 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.178 -0.951 . . . . 0.0 109.848 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.686 ' HB2' HG21 ' A' ' 55' ' ' VAL . 67.6 m -67.89 -41.34 82.89 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.149 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.825 HG12 ' HA ' ' A' ' 55' ' ' VAL . 14.1 mt -75.71 -37.26 35.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 0.9 OUTLIER -64.94 -31.37 72.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.836 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -72.17 -48.1 45.93 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.171 -0.956 . . . . 0.0 108.61 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.76 -31.27 51.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 121.773 -0.58 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.61 -35.93 67.97 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.838 -1.164 . . . . 0.0 109.581 -178.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 120' ' ' ARG . 56.1 mtmt -73.07 -31.67 64.54 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.198 -0.939 . . . . 0.0 108.642 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.714 ' CE2' HD11 ' A' ' 126' ' ' ILE . 80.7 t80 -64.77 -50.7 65.78 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.469 ' CE2' HG12 ' A' ' 63' ' ' ILE . 23.1 m-85 -67.73 -26.85 66.35 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.782 -0.574 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -63.23 -42.04 99.19 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.67 -38.06 83.23 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.714 HD11 ' CE2' ' A' ' 122' ' ' TYR . 67.0 mt -60.8 -38.81 79.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 O-C-N 121.573 -0.704 . . . . 0.0 109.167 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 m -66.56 -40.36 88.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.392 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 128' ' ' LEU . 6.2 tt -62.4 -45.06 94.85 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.416 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.3 t80 -58.6 -35.21 72.07 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.674 -0.641 . . . . 0.0 109.569 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 66' ' ' LEU . 83.5 mt -69.34 -42.44 75.29 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -69.66 -26.06 64.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.909 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.59 -49.38 21.93 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.378 -0.826 . . . . 0.0 109.37 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.644 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.2 mptt -82.26 3.0 29.23 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 109.716 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 56.16 46.81 20.73 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.417 -0.802 . . . . 0.0 109.197 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.95 49.21 16.3 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.665 -0.647 . . . . 0.0 109.724 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 133' ' ' LYS . 46.7 t -72.46 150.44 91.52 Favored Pre-proline 0 C--O 1.216 -0.684 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.45 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.4 -30.82 62.61 Favored 'Trans proline' 0 C--N 1.352 0.721 0 O-C-N 123.583 1.307 . . . . 0.0 110.759 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.07 -41.1 51.57 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.644 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.75 -38.52 90.87 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 109.082 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.613 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 13.6 m95 -67.43 -33.09 74.44 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.577 -0.702 . . . . 0.0 109.76 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.591 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -67.23 -46.48 73.65 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.646 HG21 ' O ' ' A' ' 32' ' ' ASP . 72.9 t -60.25 -40.67 84.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 139' ' ' ALA . 91.5 t -69.83 -26.08 29.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 121.676 -0.64 . . . . 0.0 109.478 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.701 ' NH1' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -66.3 -50.6 63.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.275 -0.891 . . . . 0.0 108.826 178.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.72 -33.48 75.72 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.433 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 47.2 mm-40 -68.26 -36.78 79.96 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.617 -0.677 . . . . 0.0 109.833 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 143' ' ' VAL . 21.4 mm -72.83 -36.97 53.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 121.355 -0.841 . . . . 0.0 109.108 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.436 ' HG3' HD22 ' A' ' 15' ' ' LEU . 31.7 ttm -65.03 -45.13 86.75 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.492 -0.755 . . . . 0.0 109.904 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -69.84 -43.8 71.24 Favored 'General case' 0 C--O 1.211 -0.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.918 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.543 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 64.2 p -63.32 -40.43 97.31 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.466 -0.771 . . . . 0.0 109.876 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.941 ' HB3' HD21 ' A' ' 15' ' ' LEU . 45.6 t80 -71.44 -39.15 71.19 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.44 -0.787 . . . . 0.0 109.969 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.403 ' HB3' HD13 ' A' ' 15' ' ' LEU . 65.3 p -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.478 -0.764 . . . . 0.0 109.162 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.526 HD22 ' OE1' ' A' ' 40' ' ' GLN . 56.1 mt -71.87 -37.94 70.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 3.7 m -75.02 -32.85 61.7 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.548 -0.72 . . . . 0.0 109.821 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.657 HG21 ' HB2' ' A' ' 11' ' ' SER . 34.0 p -89.79 -5.82 56.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.348 -0.845 . . . . 0.0 110.49 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.434 ' HA ' ' HB3' ' A' ' 160' ' ' SER . 41.6 t30 -61.98 -20.98 64.45 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.164 -0.96 . . . . 0.0 109.587 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.638 ' N ' HD22 ' A' ' 157' ' ' LEU . 2.9 mm? -78.96 -10.41 59.81 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.294 -0.879 . . . . 0.0 110.278 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -109.72 -85.95 0.53 Allowed 'General case' 0 C--O 1.216 -0.694 0 O-C-N 120.981 -1.074 . . . . 0.0 110.504 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -134.13 6.15 3.6 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.275 -0.89 . . . . 0.0 111.049 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.434 ' HB3' ' HA ' ' A' ' 156' ' ' ASN . 31.3 t -71.89 70.15 0.73 Allowed 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.366 -0.834 . . . . 0.0 109.439 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 161' ' ' LEU . 23.5 mt -135.98 119.36 16.82 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.527 -0.733 . . . . 0.0 109.248 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -78.96 -6.29 55.91 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.096 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.4 p -73.11 88.72 1.45 Allowed 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.265 -0.897 . . . . 0.0 109.473 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -163.03 70.38 0.25 Allowed 'General case' 0 C--O 1.219 -0.526 0 O-C-N 121.467 -0.771 . . . . 0.0 109.218 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.886 -1.054 . . . . 0.0 109.31 179.74 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.582 ' HB2' HG21 ' A' ' 103' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.61 0.719 . . . . 0.0 109.694 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -128.18 94.05 3.81 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.4 mm? -58.16 -55.03 49.58 Favored Pre-proline 0 C--O 1.216 -0.686 0 O-C-N 121.681 -0.637 . . . . 0.0 109.693 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.6 Cg_endo -73.26 92.12 0.84 Allowed 'Trans proline' 0 C--N 1.356 0.93 0 O-C-N 123.581 1.306 . . . . 0.0 110.302 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -91.58 80.68 5.37 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.442 -0.786 . . . . 0.0 109.066 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.1 p -128.14 34.75 4.53 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.51 -0.744 . . . . 0.0 109.417 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -116.2 -173.62 2.4 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.365 -0.835 . . . . 0.0 109.558 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -70.56 148.04 48.62 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.279 -0.888 . . . . 0.0 109.265 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.7 mp -82.86 135.44 34.93 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.451 -0.78 . . . . 0.0 109.597 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.22 -29.57 73.32 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m -62.72 -34.37 77.02 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.708 -0.877 . . . . 0.0 109.514 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.45 -42.43 87.62 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.592 -0.693 . . . . 0.0 109.868 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -74.19 -40.9 62.21 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.432 -0.793 . . . . 0.0 110.079 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 17' ' ' LEU . 57.9 m -62.71 -45.83 90.93 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.366 -0.834 . . . . 0.0 109.605 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.832 HD21 ' HB3' ' A' ' 151' ' ' PHE . 41.7 mt -66.99 -33.31 75.29 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.712 -0.617 . . . . 0.0 109.598 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -64.81 -40.16 94.76 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.261 -0.9 . . . . 0.0 108.792 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.854 HD11 ' HG3' ' A' ' 87' ' ' GLU . 53.5 mt -60.49 -47.24 86.99 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 84' ' ' PHE . 82.7 mt -58.54 -37.7 76.24 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.818 -0.552 . . . . 0.0 109.614 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.72 -46.63 89.66 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.634 -0.666 . . . . 0.0 109.683 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -73.67 -21.35 60.29 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.508 -0.745 . . . . 0.0 110.136 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.519 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -70.91 -22.81 62.2 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 121.287 -0.883 . . . . 0.0 110.717 -179.515 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB3' ' NH2' ' A' ' 22' ' ' ARG . 12.0 ttp-105 -63.92 116.61 5.99 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.932 -1.105 . . . . 0.0 109.792 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.1 mptm? -92.67 -36.28 13.04 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.628 -0.67 . . . . 0.0 109.643 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.1 pt -114.22 165.29 9.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 121.65 0.738 . . . . 0.0 110.305 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -84.49 140.63 31.33 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.623 -0.673 . . . . 0.0 109.223 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.54 ' O ' HD13 ' A' ' 30' ' ' LEU . 43.3 tp -59.84 -39.14 84.13 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.783 ' HA ' HD13 ' A' ' 30' ' ' LEU . 91.1 m-85 -58.2 -41.23 83.54 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -59.03 -33.41 70.71 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.866 ' SG ' HD12 ' A' ' 24' ' ' ILE . 68.2 m -101.88 50.92 0.84 Allowed 'General case' 0 C--O 1.219 -0.525 0 O-C-N 121.825 -0.547 . . . . 0.0 109.602 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.783 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.84 7.34 27.52 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.316 -0.865 . . . . 0.0 109.715 178.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -101.87 -21.63 14.52 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.241 -0.912 . . . . 0.0 109.2 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.721 ' O ' HG21 ' A' ' 142' ' ' VAL . 11.5 t70 -112.4 26.72 10.29 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.519 -0.738 . . . . 0.0 109.594 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -87.09 122.29 30.7 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.057 -1.027 . . . . 0.0 109.531 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -141.17 147.99 39.3 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.599 -0.688 . . . . 0.0 109.571 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.76 126.91 33.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.528 -0.733 . . . . 0.0 109.309 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.4 m-85 -85.34 -51.37 6.61 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.594 -0.691 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 67.02 0.53 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 85.2 t80 -76.59 131.8 73.51 Favored Pre-proline 0 C--O 1.217 -0.621 0 O-C-N 121.548 -0.972 . . . . 0.0 108.826 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 55.1 Cg_endo -80.59 70.73 7.4 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 O-C-N 123.808 1.425 . . . . 0.0 111.459 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.668 ' HG2' HD22 ' A' ' 153' ' ' LEU . 41.8 tp60 -79.45 -22.89 43.55 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.202 -0.937 . . . . 0.0 108.996 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -28.82 65.39 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.28 -0.887 . . . . 0.0 109.167 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.1 35.91 2.26 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CD2' ' HA ' ' A' ' 154' ' ' SER . 1.3 m-85 -134.14 -21.64 1.84 Allowed 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.362 -0.836 . . . . 0.0 111.621 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 1.01 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -90.04 -61.46 1.34 Allowed Glycine 0 C--O 1.216 -0.991 0 O-C-N 120.985 -1.072 . . . . 0.0 110.803 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -76.67 140.26 40.84 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.68 -0.894 . . . . 0.0 110.39 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 58.76 33.47 23.09 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.739 -0.601 . . . . 0.0 110.613 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.723 ' HB3' HG23 ' A' ' 52' ' ' THR . 61.4 m-85 -148.37 46.08 1.05 Allowed 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.209 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.719 ' CG ' HD12 ' A' ' 157' ' ' LEU . 27.8 mt-30 -133.58 159.85 39.22 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.306 -0.871 . . . . 0.0 109.467 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 31.8 mmmt 62.29 60.84 1.37 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.432 -0.793 . . . . 0.0 109.402 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . 65.21 71.72 0.44 Allowed 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.636 -0.665 . . . . 0.0 109.989 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 25.6 mt-10 -142.14 -48.5 0.36 Allowed 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.436 -0.79 . . . . 0.0 109.13 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.723 HG23 ' HB3' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -87.68 -0.49 56.97 Favored 'General case' 0 C--O 1.21 -0.98 0 O-C-N 121.87 -0.519 . . . . 0.0 110.011 178.57 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.81 HG23 HD23 ' A' ' 95' ' ' LEU . 22.9 mt -54.57 -46.05 99.32 Favored Pre-proline 0 C--O 1.213 -0.839 0 O-C-N 120.982 -1.074 . . . . 0.0 110.496 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.1 Cg_endo -67.56 -32.24 31.71 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.204 1.107 . . . . 0.0 110.679 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.768 ' HA ' HG12 ' A' ' 116' ' ' ILE . 6.0 t -71.51 -44.88 70.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.597 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 86.9 mt -62.25 -35.61 79.47 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.468 ' O ' HD21 ' A' ' 92' ' ' LEU . 61.5 t-80 -59.76 -53.57 56.43 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.759 -0.588 . . . . 0.0 109.731 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 116' ' ' ILE . 3.4 mt-10 -69.27 -23.66 63.87 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.213 -0.93 . . . . 0.0 109.614 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 ttt -70.13 -35.78 74.33 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.316 -0.865 . . . . 0.0 108.746 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.627 HG23 ' CD2' ' A' ' 88' ' ' LEU . 15.3 mm -70.43 -33.1 52.41 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -68.94 -34.22 74.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.435 -0.791 . . . . 0.0 108.963 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -71.65 -41.52 68.69 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.431 -0.793 . . . . 0.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.539 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.9 mt -73.64 -25.11 20.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.337 -0.852 . . . . 0.0 108.797 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' HA ' HD13 ' A' ' 88' ' ' LEU . 24.6 t80 -68.03 -47.12 69.3 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.328 -0.858 . . . . 0.0 109.285 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.568 ' O ' HG23 ' A' ' 69' ' ' THR . 43.2 t30 -77.69 -34.96 52.64 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.544 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 130' ' ' LEU . 52.9 tp -61.85 -28.85 69.78 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 121.396 -0.815 . . . . 0.0 109.499 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.7 m-85 -101.25 -21.78 14.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.388 -0.82 . . . . 0.0 109.926 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 8.6 t -80.17 -22.74 41.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.831 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 65' ' ' ASN . 2.4 p -50.54 147.26 4.71 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 110.007 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.52 -26.62 68.65 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.848 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.459 ' HB2' ' CG ' ' A' ' 135' ' ' TYR . 1.4 p30 -74.45 -15.51 60.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.165 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.472 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.4 m -104.99 -32.96 8.5 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.338 -0.851 . . . . 0.0 109.587 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 59.9 m -64.32 -31.72 73.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.649 -0.657 . . . . 0.0 109.335 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.46 -29.99 25.63 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.31 87.08 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.693 -0.63 . . . . 0.0 110.05 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.401 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 68.2 m95 -114.27 173.88 6.23 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.602 -0.686 . . . . 0.0 109.856 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.75 132.55 45.51 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.4 pp20? -64.33 -26.38 68.45 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.439 -0.788 . . . . 0.0 110.3 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -78.68 -45.03 22.3 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.12 -0.988 . . . . 0.0 108.728 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 80' ' ' LEU . 92.5 mt -62.42 -39.46 93.37 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.84 -33.11 70.33 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 10.6 t70 -55.76 -51.49 67.19 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 74.4 mmtt -65.22 -35.11 80.03 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.847 ' HA ' HD13 ' A' ' 17' ' ' LEU . 26.2 t80 -63.66 -30.36 71.48 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.712 -0.618 . . . . 0.0 109.616 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 24.6 m-85 -75.26 -43.71 49.94 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.048 -1.033 . . . . 0.0 109.396 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -64.83 -35.3 80.66 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.561 -0.712 . . . . 0.0 109.922 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.854 ' HG3' HD11 ' A' ' 17' ' ' LEU . 60.2 mm-40 -73.94 -31.94 63.27 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.236 -0.915 . . . . 0.0 109.533 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 84' ' ' PHE . 59.4 mt -69.92 -41.37 74.72 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.506 -0.746 . . . . 0.0 109.747 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.497 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 11.6 t80 -77.34 -33.93 55.32 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.264 -0.897 . . . . 0.0 110.134 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -65.53 -47.26 76.52 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.226 -0.922 . . . . 0.0 108.707 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -66.84 -28.62 68.49 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.508 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.6 mt -68.34 -35.56 77.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.543 -0.723 . . . . 0.0 109.48 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.23 -42.11 76.11 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.392 -0.818 . . . . 0.0 109.236 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.35 -41.33 85.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.485 -0.759 . . . . 0.0 109.451 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.81 HD23 HG23 ' A' ' 53' ' ' ILE . 63.3 mt -65.25 -36.81 85.27 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.829 -0.544 . . . . 0.0 110.316 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.494 ' HG3' HG13 ' A' ' 100' ' ' ILE . 47.9 tp10 -74.9 -28.66 60.72 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.453 -0.78 . . . . 0.0 110.266 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 1' ' ' CYS . . . -54.45 -42.95 71.21 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.335 -0.853 . . . . 0.0 110.101 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.0 m -67.76 -37.14 81.71 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.333 -0.854 . . . . 0.0 109.502 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.77 -32.7 53.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 O-C-N 121.548 -0.72 . . . . 0.0 109.95 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.494 HG13 ' HG3' ' A' ' 96' ' ' GLU . 86.3 mt -73.32 -55.23 13.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 121.253 -0.904 . . . . 0.0 109.696 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.508 ' HB2' HG23 ' A' ' 103' ' ' VAL . 22.6 mm100 -71.37 179.09 3.07 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.638 -0.664 . . . . 0.0 110.205 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.38 47.43 2.84 Favored Glycine 0 CA--C 1.532 1.115 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.661 HG12 ' H ' ' A' ' 104' ' ' GLY . 3.1 t -86.22 177.93 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 O-C-N 121.469 -1.018 . . . . 0.0 108.348 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.661 ' H ' HG12 ' A' ' 103' ' ' VAL . . . -51.25 108.54 0.59 Allowed Glycine 0 CA--C 1.534 1.245 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.0 t -146.49 149.93 15.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 O-C-N 121.693 -0.886 . . . . 0.0 108.712 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 109' ' ' PRO . 37.6 p -64.25 120.09 11.5 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 109.731 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -74.36 -68.34 0.54 Allowed 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.646 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 10.3 m -149.69 43.2 0.27 Allowed Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.51 -0.744 . . . . 0.0 110.433 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 108' ' ' THR . 57.4 Cg_endo -86.57 170.42 7.75 Favored 'Trans proline' 0 C--N 1.358 1.058 0 O-C-N 122.847 0.919 . . . . 0.0 110.429 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.16 -32.3 64.79 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.43 -0.794 . . . . 0.0 108.888 178.385 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.0 ptm -69.42 -7.65 39.57 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.524 -0.735 . . . . 0.0 110.75 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.548 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 58.1 tttm -52.43 -56.78 12.75 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.14 -0.975 . . . . 0.0 109.854 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 33.0 tt0 -107.57 -29.78 8.98 Favored 'General case' 0 C--O 1.212 -0.905 0 O-C-N 121.477 -0.764 . . . . 0.0 110.148 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -51.11 -37.15 44.24 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.357 -0.839 . . . . 0.0 110.566 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.482 ' OG ' HG22 ' A' ' 55' ' ' VAL . 16.0 p -61.15 -49.66 76.31 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.281 -0.887 . . . . 0.0 108.836 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.768 HG12 ' HA ' ' A' ' 55' ' ' VAL . 77.1 mt -67.44 -28.49 42.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.756 HD23 ' HD3' ' A' ' 120' ' ' ARG . 32.9 mt -66.25 -32.94 74.67 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.94 -44.67 76.27 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.02 -25.19 29.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 121.319 -0.863 . . . . 0.0 108.981 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.756 ' HD3' HD23 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.34 -43.76 73.0 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.151 -0.968 . . . . 0.0 109.92 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 118' ' ' ALA . 18.8 ptpt -69.67 -31.09 68.96 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.394 -0.816 . . . . 0.0 109.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.687 ' CE2' HD11 ' A' ' 126' ' ' ILE . 56.6 t80 -66.06 -51.71 55.67 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.478 -0.764 . . . . 0.0 109.076 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.48 -24.44 64.69 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.694 -0.629 . . . . 0.0 109.982 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -64.22 -41.84 96.85 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.25 -34.73 75.25 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.687 HD11 ' CE2' ' A' ' 122' ' ' TYR . 47.2 mt -66.09 -36.31 77.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.419 -0.801 . . . . 0.0 109.492 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.3 m -68.27 -42.89 78.91 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.422 -0.799 . . . . 0.0 109.173 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -69.21 -31.79 70.62 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.554 -0.716 . . . . 0.0 109.379 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.83 -43.36 99.02 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.532 -0.73 . . . . 0.0 109.289 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 66' ' ' LEU . 52.7 mt -67.0 -37.49 84.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -69.38 -29.55 67.34 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.489 -0.757 . . . . 0.0 109.716 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.466 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 7.2 tt0 -71.07 -50.15 36.91 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.466 -0.771 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.6 mptp? -81.29 3.67 23.22 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.767 -0.583 . . . . 0.0 109.748 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 55.23 44.85 26.93 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.459 ' CG ' ' HB2' ' A' ' 71' ' ' ASP . 32.1 m-85 59.13 53.58 5.39 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.653 -0.654 . . . . 0.0 110.025 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 133' ' ' LYS . 18.6 m -76.12 161.17 76.28 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.381 -0.825 . . . . 0.0 109.153 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.51 -41.89 3.01 Favored 'Trans proline' 0 C--O 1.216 -0.623 0 O-C-N 123.732 1.385 . . . . 0.0 110.779 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.96 -34.87 73.96 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.494 -0.754 . . . . 0.0 109.158 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -65.81 -37.47 86.36 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.529 -0.732 . . . . 0.0 109.356 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.472 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 17.9 m95 -70.54 -34.19 72.0 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.486 -0.759 . . . . 0.0 109.865 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HG3' HG13 ' A' ' 24' ' ' ILE . 11.6 tm-20 -67.7 -43.08 80.93 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.721 HG21 ' O ' ' A' ' 32' ' ' ASP . 82.4 t -61.84 -40.99 88.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 139' ' ' ALA . 85.4 t -71.95 -25.68 24.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.69 -0.632 . . . . 0.0 109.488 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.485 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 2.1 tmt_? -65.5 -51.12 62.32 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.63 73.02 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 120.999 0.428 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.05 -33.8 68.26 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.428 -0.795 . . . . 0.0 110.038 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 mm -76.13 -35.86 29.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.826 0 O-C-N 121.411 -0.806 . . . . 0.0 109.502 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.471 ' SD ' HD22 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -74.9 -33.72 62.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.491 -0.756 . . . . 0.0 109.217 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -43.9 57.38 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.363 -0.836 . . . . 0.0 109.05 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.615 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.9 p -65.49 -32.67 74.41 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.514 -0.741 . . . . 0.0 109.121 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.832 ' HB3' HD21 ' A' ' 15' ' ' LEU . 12.3 t80 -69.71 -44.85 69.52 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.9 t -62.9 -36.52 83.63 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.668 HD22 ' HG2' ' A' ' 40' ' ' GLN . 65.6 mt -64.9 -49.98 68.34 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.605 -0.685 . . . . 0.0 109.554 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 51.5 p -60.11 -40.45 89.72 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.809 -0.557 . . . . 0.0 110.568 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.808 HG21 ' CE1' ' A' ' 151' ' ' PHE . 17.6 p -93.61 0.89 56.74 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.866 -0.521 . . . . 0.0 111.103 -175.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -63.99 -16.96 62.79 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.132 -0.98 . . . . 0.0 109.215 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 1.01 HD11 ' HA2' ' A' ' 44' ' ' GLY . 3.9 mm? -69.04 -20.69 64.13 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.39 -0.818 . . . . 0.0 109.847 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -66.71 -20.01 65.88 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.578 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.451 ' O ' HD12 ' A' ' 161' ' ' LEU . 46.9 mt-10 -82.52 0.61 41.77 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.459 -0.776 . . . . 0.0 110.834 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 92.0 p -77.62 72.21 4.15 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.259 -0.901 . . . . 0.0 109.087 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 159' ' ' GLU . 1.6 mp -69.82 -166.65 0.12 Allowed 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.538 -0.726 . . . . 0.0 109.866 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -91.15 52.53 2.14 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.167 -0.958 . . . . 0.0 109.371 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 54.4 m -94.08 47.09 1.19 Allowed 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.35 -0.844 . . . . 0.0 109.262 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -154.23 41.91 0.5 Allowed 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.241 -0.912 . . . . 0.0 109.383 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.86 -1.067 . . . . 0.0 109.273 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' HB2' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.777 0.799 . . . . 0.0 109.711 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -149.26 63.23 1.03 Allowed 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.401 HD21 HG11 ' A' ' 103' ' ' VAL . 64.6 mt -44.39 104.13 0.37 Allowed Pre-proline 0 C--O 1.217 -0.629 0 CA-C-O 121.445 0.641 . . . . 0.0 109.966 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -84.34 141.17 8.92 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 O-C-N 124.822 1.959 . . . . 0.0 111.197 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -159.95 60.55 0.36 Allowed 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.8 p -149.36 -55.06 0.18 Allowed 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.689 -0.632 . . . . 0.0 109.648 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -86.75 -173.75 4.63 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.386 -0.821 . . . . 0.0 109.955 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.3 p -70.83 159.26 34.92 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.441 -0.787 . . . . 0.0 109.692 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.4 mt -87.79 148.46 24.69 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.433 -0.792 . . . . 0.0 109.529 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.23 -26.21 74.25 Favored Glycine 0 CA--C 1.536 1.35 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.522 ' HB2' HG21 ' A' ' 155' ' ' THR . 72.7 p -60.62 -38.71 85.67 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.532 -0.981 . . . . 0.0 109.956 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -63.13 -41.11 99.26 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.503 -0.748 . . . . 0.0 109.584 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 20.9 tpp180 -71.04 -35.63 72.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.477 -0.765 . . . . 0.0 109.862 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.3 m -62.88 -44.98 94.65 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.389 -0.819 . . . . 0.0 109.318 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 151' ' ' PHE . 74.7 mt -68.12 -31.68 71.45 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.586 -0.697 . . . . 0.0 109.175 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.22 -38.18 90.13 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 17' ' ' LEU . 37.7 mt -64.1 -41.85 97.13 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 HD23 ' A' ' 15' ' ' LEU . 61.1 mt -60.05 -30.64 69.33 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.718 -0.614 . . . . 0.0 109.531 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.48 63.4 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.757 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.44 -39.11 74.53 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.484 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.7 ptp -65.78 -22.46 66.57 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.737 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -55.63 106.41 0.25 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.703 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.605 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -94.47 -39.14 10.58 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.462 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.741 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.1 pt -106.2 170.57 2.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-O 121.524 0.678 . . . . 0.0 109.84 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.5 m -101.0 150.11 23.23 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD11 ' HG2' ' A' ' 33' ' ' ARG . 22.3 tp -64.42 -30.06 71.11 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -68.08 -37.61 81.42 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.023 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -66.71 -25.8 66.71 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.055 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 24' ' ' ILE . 34.2 m -114.86 54.17 0.79 Allowed 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.502 -0.749 . . . . 0.0 109.891 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 55.9 mt -82.43 0.74 40.77 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.157 -0.964 . . . . 0.0 110.393 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -82.8 -30.04 29.12 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.301 -0.874 . . . . 0.0 108.981 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.7 ' O ' HG21 ' A' ' 142' ' ' VAL . 63.7 m-20 -105.88 10.82 32.37 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.75 -0.594 . . . . 0.0 109.828 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HG2' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.9 109.91 5.32 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.239 -0.913 . . . . 0.0 109.693 -179.153 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -149.09 135.51 19.36 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.24 124.41 27.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.39 -0.819 . . . . 0.0 108.894 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 72.4 m-85 -73.24 -50.44 22.37 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.523 -0.736 . . . . 0.0 109.643 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.9 66.87 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 87.2 t80 -71.38 131.47 86.59 Favored Pre-proline 0 C--O 1.216 -0.659 0 O-C-N 121.638 -0.919 . . . . 0.0 108.999 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.0 Cg_endo -79.48 67.05 8.72 Favored 'Trans proline' 0 C--N 1.351 0.708 0 O-C-N 123.732 1.385 . . . . 0.0 111.04 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.667 ' HG3' HD22 ' A' ' 153' ' ' LEU . 3.0 tm0? -75.1 -14.62 60.59 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.338 -0.851 . . . . 0.0 109.097 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -61.26 -30.64 70.58 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.26 -0.9 . . . . 0.0 108.783 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -95.55 26.93 3.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' C ' HD11 ' A' ' 157' ' ' LEU . 9.1 m-85 -135.66 51.29 2.06 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.404 ' CA ' HD11 ' A' ' 157' ' ' LEU . . . -138.58 -95.55 0.34 Allowed Glycine 0 C--O 1.216 -0.992 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 9.1 t-20 -75.37 142.9 43.05 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.624 -0.927 . . . . 0.0 109.123 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 56.0 mt-30 71.51 19.89 4.99 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.793 -0.567 . . . . 0.0 110.027 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.52 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 79.9 m-85 -139.62 39.86 2.03 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 121.106 -0.996 . . . . 0.0 109.201 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.56 ' N ' ' HB2' ' A' ' 51' ' ' GLU . 13.5 mp0 -70.61 -161.24 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.417 -0.802 . . . . 0.0 110.161 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -45.05 -69.93 0.12 Allowed 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.443 -0.786 . . . . 0.0 111.509 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.38 36.68 1.14 Allowed 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.728 -0.608 . . . . 0.0 110.939 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.68 ' O ' HG11 ' A' ' 105' ' ' VAL . 48.4 mm-40 -118.16 -32.08 4.82 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 120.985 -1.072 . . . . 0.0 110.071 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.52 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 14.6 t -115.41 18.46 16.01 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.317 -0.865 . . . . 0.0 110.114 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.618 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 45.1 mt -57.53 -45.02 99.89 Favored Pre-proline 0 C--O 1.215 -0.763 0 O-C-N 121.038 -1.039 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -64.67 -28.71 60.45 Favored 'Trans proline' 0 C--N 1.357 0.989 0 O-C-N 123.106 1.056 . . . . 0.0 110.635 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.673 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.9 t -76.25 -37.96 32.85 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.837 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 40.9 mt -67.83 -31.3 71.05 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CD2' HD23 ' A' ' 92' ' ' LEU . 61.2 t-80 -69.48 -47.86 62.55 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.447 -0.783 . . . . 0.0 109.672 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.867 ' HG3' HD13 ' A' ' 116' ' ' ILE . 80.8 mm-40 -73.08 -31.5 64.42 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.5 -0.75 . . . . 0.0 110.299 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.441 ' CG ' HG11 ' A' ' 119' ' ' VAL . 8.0 ttt -71.66 -41.78 68.3 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.199 -0.938 . . . . 0.0 109.063 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.675 HG23 HD22 ' A' ' 88' ' ' LEU . 3.5 mt -70.01 -27.11 31.45 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 O-C-N 121.421 -0.799 . . . . 0.0 108.9 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.68 -38.36 70.62 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -67.11 -37.62 84.23 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.5 -0.75 . . . . 0.0 109.38 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.529 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.8 mt -72.81 -30.78 34.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.475 ' HA ' HD13 ' A' ' 88' ' ' LEU . 15.4 t80 -62.17 -48.46 79.99 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 121.459 -0.775 . . . . 0.0 109.433 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.799 ' O ' HG23 ' A' ' 69' ' ' THR . 20.5 t-20 -76.71 -37.11 56.64 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.502 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 130' ' ' LEU . 44.5 tp -57.94 -33.35 68.72 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.526 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 63' ' ' ILE . 17.9 m-85 -97.18 -24.05 15.91 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 110.047 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 13.2 t -77.67 -17.5 57.62 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.799 HG23 ' O ' ' A' ' 65' ' ' ASN . 30.0 p -55.97 150.41 13.56 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.228 -0.92 . . . . 0.0 110.213 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.8 -25.49 67.52 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 109.99 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.406 ' HB2' ' CG ' ' A' ' 135' ' ' TYR . 1.0 OUTLIER -76.99 -32.89 57.55 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.44 -0.788 . . . . 0.0 110.063 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.486 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 23.7 t -86.19 -32.59 21.13 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.255 -0.903 . . . . 0.0 109.705 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 26.5 t -64.62 -36.44 84.27 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.584 -0.697 . . . . 0.0 109.258 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -24.43 33.04 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.48 72.28 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.46 -0.775 . . . . 0.0 109.999 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.605 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 78.9 m95 -118.47 176.16 5.38 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.636 -0.665 . . . . 0.0 109.897 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 133.93 49.16 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -67.92 -28.13 67.23 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.352 -0.843 . . . . 0.0 110.564 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.1 m -78.12 -44.33 26.39 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.059 -1.025 . . . . 0.0 109.001 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.9 -38.5 91.2 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 81' ' ' LEU . 11.3 mt -71.45 -33.21 69.17 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -49.16 74.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -64.95 -34.59 78.77 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 88' ' ' LEU . 12.7 t80 -64.1 -32.29 73.8 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.786 -0.571 . . . . 0.0 109.659 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -76.63 -35.37 58.08 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.042 -1.036 . . . . 0.0 109.597 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.9 m -69.24 -39.93 78.2 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.453 -0.78 . . . . 0.0 109.868 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.416 ' OE2' HD11 ' A' ' 17' ' ' LEU . 19.8 mt-10 -73.41 -34.04 65.28 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.275 -0.891 . . . . 0.0 109.823 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.675 HD22 HG23 ' A' ' 60' ' ' ILE . 81.8 mt -69.49 -38.72 77.77 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.378 -0.826 . . . . 0.0 109.372 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.6 -38.04 59.36 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.55 -0.719 . . . . 0.0 110.527 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -68.71 -45.95 70.23 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.187 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -66.7 -26.22 66.92 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.551 -0.718 . . . . 0.0 109.192 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.41 HD23 ' CD2' ' A' ' 57' ' ' HIS . 6.5 mt -70.17 -47.11 63.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.367 -0.833 . . . . 0.0 109.452 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.56 -32.7 74.45 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.507 -0.745 . . . . 0.0 109.967 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.83 61.99 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.261 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 53' ' ' ILE . 31.5 mt -65.39 -43.24 91.31 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.472 ' O ' HG13 ' A' ' 100' ' ' ILE . 11.5 pt-20 -73.76 -30.91 63.06 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.507 -0.746 . . . . 0.0 109.881 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 100' ' ' ILE . . . -57.22 -42.24 81.02 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.462 -0.774 . . . . 0.0 109.519 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 65.4 m -65.47 -44.24 87.78 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.487 -0.758 . . . . 0.0 109.014 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.96 -42.02 91.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 O-C-N 121.679 -0.638 . . . . 0.0 110.025 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 96' ' ' GLU . 92.4 mt -58.3 -51.29 73.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 O-C-N 121.4 -0.812 . . . . 0.0 109.256 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -74.37 -174.95 2.16 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.854 -0.529 . . . . 0.0 109.598 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.68 -14.28 60.22 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 104' ' ' GLY . 3.5 t -71.55 172.4 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 121.057 -1.261 . . . . 0.0 109.067 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.559 ' H ' HG12 ' A' ' 103' ' ' VAL . . . 99.04 -149.86 19.16 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.68 HG11 ' O ' ' A' ' 51' ' ' GLU . 3.4 p -154.25 130.14 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 O-C-N 121.29 -1.123 . . . . 0.0 110.063 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 106' ' ' THR . 19.2 m -153.77 29.25 0.47 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 121.913 0.863 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 106' ' ' THR . 60.2 mm-40 -28.25 -76.24 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.743 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.533 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 4.9 m -169.09 -60.49 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.744 0 O-C-N 121.47 -0.769 . . . . 0.0 110.578 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' A' ' 108' ' ' THR . 38.2 Cg_endo -64.66 170.48 9.8 Favored 'Trans proline' 0 C--N 1.356 0.922 0 O-C-N 123.605 1.319 . . . . 0.0 112.537 -176.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.8 -6.01 34.55 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.3 tpp -44.01 -36.79 2.65 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.242 -0.911 . . . . 0.0 110.447 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -60.96 -36.95 80.75 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.511 -0.743 . . . . 0.0 109.989 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HG3' ' HG ' ' A' ' 117' ' ' LEU . 40.7 tp10 -92.55 -27.86 17.12 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.449 -0.782 . . . . 0.0 109.917 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -58.62 -36.04 73.44 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.23 -0.919 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.4 ' HB2' HG11 ' A' ' 55' ' ' VAL . 1.4 p -64.13 -43.75 94.29 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.867 HD13 ' HG3' ' A' ' 58' ' ' GLU . 76.3 mt -66.2 -33.08 61.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 117' ' ' LEU . 27.2 mt -66.31 -34.52 78.18 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.686 -0.634 . . . . 0.0 109.555 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.555 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.95 -48.65 73.31 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.441 HG11 ' CG ' ' A' ' 59' ' ' MET . 91.3 t -63.27 -27.24 42.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.4 -43.0 95.78 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.464 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -69.23 -34.14 74.37 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.434 -0.791 . . . . 0.0 109.453 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.662 ' CE2' HD11 ' A' ' 126' ' ' ILE . 67.4 t80 -63.55 -50.89 67.74 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.487 -0.758 . . . . 0.0 109.686 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.47 -20.73 61.33 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.635 -0.666 . . . . 0.0 110.411 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -40.43 81.93 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 21.1 tpt180 -68.68 -39.06 80.74 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.662 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.4 mt -61.74 -39.51 83.58 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.628 -0.67 . . . . 0.0 109.616 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -66.98 -36.29 81.85 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.6 tt -68.73 -38.55 80.27 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 121.45 -0.781 . . . . 0.0 109.291 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.479 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -63.02 -35.33 79.86 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.543 -0.723 . . . . 0.0 109.694 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 66' ' ' LEU . 79.1 mt -72.41 -38.78 68.3 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.569 -0.707 . . . . 0.0 109.676 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.82 -21.06 55.63 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.098 -1.001 . . . . 0.0 109.686 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 13.7 tt0 -77.62 -49.08 15.3 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 108.991 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.606 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 1.3 mptm? -83.22 4.49 26.61 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 58.82 41.0 22.25 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.357 -0.84 . . . . 0.0 110.173 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 32.6 m-85 59.74 49.59 7.97 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.527 -0.733 . . . . 0.0 109.973 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.419 ' HB2' ' HB3' ' A' ' 133' ' ' LYS . 11.0 m -81.54 160.96 63.32 Favored Pre-proline 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.222 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.62 ' O ' HD11 ' A' ' 24' ' ' ILE . 41.6 Cg_endo -69.15 -32.62 20.73 Favored 'Trans proline' 0 C--O 1.216 -0.616 0 O-C-N 123.881 1.464 . . . . 0.0 110.915 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 3.7 m -71.19 -45.87 62.49 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.545 -0.722 . . . . 0.0 109.377 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.41 -36.05 81.14 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.429 -0.794 . . . . 0.0 108.939 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.509 ' CE2' HD22 ' A' ' 130' ' ' LEU . 17.9 m95 -70.12 -36.71 75.01 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.547 -0.721 . . . . 0.0 109.989 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -64.2 -40.26 95.7 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.375 -0.828 . . . . 0.0 109.404 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.7 HG21 ' O ' ' A' ' 32' ' ' ASP . 96.1 t -65.46 -42.06 92.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 147' ' ' ILE . 99.2 t -71.05 -22.04 22.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 O-C-N 121.706 -0.621 . . . . 0.0 109.374 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.18 60.34 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.136 -0.977 . . . . 0.0 108.697 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.34 73.79 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.872 -0.518 . . . . 0.0 109.66 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.449 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 32.3 mm-40 -69.38 -35.28 75.66 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.649 -0.657 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.8 mm -74.2 -33.03 33.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 121.31 -0.869 . . . . 0.0 109.451 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.3 ttm -70.62 -37.58 73.85 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.469 -0.77 . . . . 0.0 109.018 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -72.19 -47.81 47.9 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.584 -0.697 . . . . 0.0 109.673 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 60.6 p -61.22 -42.43 98.59 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.69 -0.631 . . . . 0.0 110.176 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.882 ' HB3' HD21 ' A' ' 15' ' ' LEU . 48.7 t80 -65.49 -39.01 91.42 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.423 -0.798 . . . . 0.0 109.428 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.2 t -67.74 -36.0 79.76 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.488 -0.757 . . . . 0.0 109.39 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.667 HD22 ' HG3' ' A' ' 40' ' ' GLN . 53.1 mt -65.44 -39.62 92.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.532 -0.73 . . . . 0.0 109.811 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.611 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 51.4 m -73.0 -30.72 63.99 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.611 -0.681 . . . . 0.0 110.623 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.522 HG21 ' HB2' ' A' ' 11' ' ' SER . 73.5 p -94.38 -7.25 42.18 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.265 -0.897 . . . . 0.0 111.035 -178.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -79.91 0.91 29.28 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 120.846 -1.159 . . . . 0.0 110.235 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.497 HD11 ' C ' ' A' ' 43' ' ' PHE . 4.6 mm? -61.93 -45.39 93.89 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.293 -0.879 . . . . 0.0 109.46 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -79.25 -23.15 43.89 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.605 -0.684 . . . . 0.0 109.547 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -68.53 -18.86 64.45 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.489 -0.757 . . . . 0.0 110.035 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 25.7 t -100.51 51.39 0.88 Allowed 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.478 -0.764 . . . . 0.0 109.19 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.444 HD23 ' C ' ' A' ' 161' ' ' LEU . 5.5 tt -90.69 109.82 20.99 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.291 -0.881 . . . . 0.0 108.769 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -109.0 -20.81 12.9 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.476 -0.765 . . . . 0.0 110.466 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.8 t -57.59 123.78 16.78 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.168 -0.958 . . . . 0.0 109.916 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -111.83 27.66 9.46 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.572 -0.705 . . . . 0.0 109.54 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 CA--C 1.534 0.365 0 O-C-N 121.224 -0.923 . . . . 0.0 109.464 179.684 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.769 0.795 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -109.65 83.29 1.73 Allowed 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 4.6 mm? -59.63 -51.1 83.41 Favored Pre-proline 0 C--O 1.217 -0.623 0 O-C-N 121.786 -0.571 . . . . 0.0 110.679 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 40.7 Cg_endo -68.52 149.75 74.67 Favored 'Trans proline' 0 C--N 1.353 0.797 0 O-C-N 123.413 1.218 . . . . 0.0 110.934 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -110.15 91.0 3.48 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.6 p -94.61 -31.74 13.73 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.556 -0.715 . . . . 0.0 109.904 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -84.87 -176.44 6.21 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.264 -0.897 . . . . 0.0 109.748 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -89.99 178.05 6.31 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.52 -0.738 . . . . 0.0 109.626 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.49 115.61 27.04 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.312 -0.867 . . . . 0.0 109.545 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.18 -17.66 78.86 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.867 ' HB3' HG21 ' A' ' 155' ' ' THR . 47.6 m -60.96 -38.73 86.93 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.487 -1.008 . . . . 0.0 109.703 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 24.4 tpt180 -66.88 -35.12 79.29 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.377 -0.827 . . . . 0.0 109.413 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -66.25 -37.23 85.02 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.41 -0.807 . . . . 0.0 108.837 178.386 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.6 m -63.21 -41.31 99.13 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 151' ' ' PHE . 65.0 mt -69.2 -32.66 72.1 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.752 -0.593 . . . . 0.0 109.625 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.9 -36.23 82.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 84' ' ' PHE . 68.0 mt -61.47 -45.92 92.22 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.745 HD12 HD23 ' A' ' 15' ' ' LEU . 57.6 mt -56.3 -41.7 76.35 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.872 -0.517 . . . . 0.0 109.847 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.21 -44.34 95.22 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.601 -0.687 . . . . 0.0 109.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -70.82 -23.08 62.29 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.413 -0.804 . . . . 0.0 110.125 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.538 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 2.0 mtm -74.68 -11.36 60.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 121.265 -0.897 . . . . 0.0 111.172 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -70.46 111.86 6.32 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.624 -1.297 . . . . 0.0 109.496 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' A' ' 21' ' ' MET . 5.0 mptp? -92.23 -37.31 12.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.603 -0.686 . . . . 0.0 109.327 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.867 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.4 pt -108.7 170.8 2.68 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.02 146.66 27.14 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.467 -0.77 . . . . 0.0 108.936 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.01 -31.15 72.23 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 74.7 m-85 -68.01 -38.06 82.17 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 176.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.5 m -66.21 -28.78 69.01 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.867 ' SG ' HD12 ' A' ' 24' ' ' ILE . 12.3 m -112.95 56.26 0.68 Allowed 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.549 -0.719 . . . . 0.0 109.896 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 69.7 mt -83.78 3.65 32.52 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 120.871 -1.143 . . . . 0.0 110.413 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -86.95 -12.96 46.03 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.158 -0.964 . . . . 0.0 109.678 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.678 ' O ' HG21 ' A' ' 142' ' ' VAL . 7.2 t70 -111.02 24.39 12.97 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.366 -0.834 . . . . 0.0 109.932 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.529 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 60.9 mtm-85 -67.66 101.28 1.01 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 120.674 -1.266 . . . . 0.0 109.846 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -143.86 118.95 10.07 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.514 -0.741 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -79.45 132.85 36.48 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 80.4 m-85 -86.49 -49.76 7.35 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.02 76.57 1.04 Allowed Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 80.4 t80 -72.91 134.48 81.18 Favored Pre-proline 0 C--O 1.216 -0.677 0 O-C-N 121.468 -1.019 . . . . 0.0 108.826 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 53.2 Cg_endo -81.33 75.82 4.75 Favored 'Trans proline' 0 C--N 1.351 0.675 0 O-C-N 123.648 1.341 . . . . 0.0 110.897 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.801 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -78.55 -13.06 60.01 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.165 -0.96 . . . . 0.0 109.363 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.08 -28.5 69.12 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -85.46 8.24 19.81 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.748 -0.595 . . . . 0.0 109.788 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.709 ' HB3' HD21 ' A' ' 157' ' ' LEU . 57.1 m-85 -131.01 55.01 1.87 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.251 -0.905 . . . . 0.0 108.795 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -147.05 -81.87 0.04 OUTLIER Glycine 0 C--O 1.218 -0.851 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 72.8 m-80 -84.22 158.5 21.25 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.707 -0.878 . . . . 0.0 109.462 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 15.5 pt20 45.1 33.0 0.99 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.431 0.634 . . . . 0.0 110.08 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.612 ' HB3' HG23 ' A' ' 52' ' ' THR . 24.2 m-85 -148.4 42.5 1.0 Allowed 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.611 -0.681 . . . . 0.0 109.181 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' A' ' 161' ' ' LEU . 32.9 mt-30 -130.68 139.56 50.34 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.24 -0.912 . . . . 0.0 109.888 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 66.15 93.05 0.07 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.239 0.542 . . . . 0.0 110.334 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 54.6 45.55 26.64 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.631 -0.668 . . . . 0.0 110.462 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.556 ' HB3' ' HA ' ' A' ' 47' ' ' PHE . 56.3 mm-40 -125.9 -47.49 1.66 Allowed 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.312 -0.868 . . . . 0.0 109.577 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.612 HG23 ' HB3' ' A' ' 47' ' ' PHE . 16.7 p -89.74 -8.91 51.2 Favored 'General case' 0 C--O 1.206 -1.212 0 O-C-N 121.741 -0.599 . . . . 0.0 110.47 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.79 HG23 HD23 ' A' ' 95' ' ' LEU . 13.4 mt -45.26 -46.61 32.73 Favored Pre-proline 0 N--CA 1.476 0.846 0 O-C-N 121.068 -1.02 . . . . 0.0 111.117 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.7 Cg_endo -67.1 -36.64 21.2 Favored 'Trans proline' 0 C--N 1.354 0.824 0 O-C-N 123.114 1.06 . . . . 0.0 110.646 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.763 ' HA ' HG12 ' A' ' 116' ' ' ILE . 20.9 t -71.25 -39.08 72.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.484 -0.76 . . . . 0.0 109.187 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.572 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 25.9 mt -68.09 -33.68 74.98 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' HD23 ' A' ' 92' ' ' LEU . 62.9 t-80 -62.66 -46.43 88.24 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.811 ' HG3' HD13 ' A' ' 116' ' ' ILE . 58.1 mm-40 -71.29 -29.68 65.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.517 -0.74 . . . . 0.0 109.309 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.5 tpp -64.66 -36.95 85.93 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.788 HG21 ' HG ' ' A' ' 92' ' ' LEU . 4.6 mm -71.1 -33.79 52.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -69.43 -35.56 75.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.561 -0.712 . . . . 0.0 109.579 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -71.59 -40.27 69.98 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.442 -0.786 . . . . 0.0 109.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.587 HG23 ' CE1' ' A' ' 67' ' ' PHE . 78.0 mt -76.6 -27.31 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.006 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 88' ' ' LEU . 41.3 t80 -68.08 -43.03 79.5 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.232 -0.918 . . . . 0.0 109.22 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 69' ' ' THR . 47.2 t30 -80.28 -38.51 30.67 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.635 -0.665 . . . . 0.0 109.895 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.63 -31.07 69.17 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.491 -0.756 . . . . 0.0 109.417 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.587 ' CE1' HG23 ' A' ' 63' ' ' ILE . 8.0 m-85 -95.8 -27.85 15.03 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.578 -0.701 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.459 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.2 t -72.59 -18.97 61.56 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.336 -0.853 . . . . 0.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 65' ' ' ASN . 34.2 p -54.65 151.75 7.76 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.21 -0.931 . . . . 0.0 109.967 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.39 -21.55 66.35 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 109.721 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.3 m-20 -77.27 -43.98 31.43 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.33 -0.856 . . . . 0.0 109.687 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.503 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.4 t -78.27 -29.61 48.09 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.506 -0.746 . . . . 0.0 109.969 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 92.5 p -65.4 -37.97 88.57 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.465 -0.772 . . . . 0.0 109.22 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.34 -21.49 35.97 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.97 67.94 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.121 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.42 ' CE3' ' O ' ' A' ' 21' ' ' MET . 68.5 m95 -119.03 172.68 7.38 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.657 -0.652 . . . . 0.0 109.671 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.66 137.63 52.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.344 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 15.9 pt-20 -66.99 -27.8 67.73 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.661 -0.649 . . . . 0.0 110.176 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.1 m -78.0 -45.19 24.43 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.183 -0.948 . . . . 0.0 108.872 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 80' ' ' LEU . 72.2 mt -63.57 -38.09 89.81 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.77 -33.26 70.59 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 10.6 t70 -55.82 -52.56 63.57 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 83' ' ' LYS . 29.7 mmtp -67.03 -30.57 70.69 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.542 ' HA ' HD13 ' A' ' 17' ' ' LEU . 20.9 t80 -66.66 -29.65 69.72 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.559 -0.713 . . . . 0.0 109.322 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.9 -33.66 51.77 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.267 -0.895 . . . . 0.0 108.909 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.8 m -69.71 -35.41 75.03 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.503 ' HG3' HD11 ' A' ' 17' ' ' LEU . 29.7 mm-40 -74.24 -32.8 63.12 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.455 -0.778 . . . . 0.0 109.291 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 64' ' ' PHE . 46.8 mt -70.36 -40.38 74.06 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.489 -0.757 . . . . 0.0 109.173 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.528 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.6 t80 -76.09 -29.39 57.9 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.223 -0.923 . . . . 0.0 109.671 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -67.48 -47.87 68.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -66.78 -28.55 68.48 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.788 ' HG ' HG21 ' A' ' 60' ' ' ILE . 11.0 mt -71.77 -31.29 66.48 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.465 -0.772 . . . . 0.0 109.508 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -72.32 -42.1 65.82 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.449 -0.782 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -69.77 -45.74 67.36 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.395 -0.815 . . . . 0.0 109.059 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.79 HD23 HG23 ' A' ' 53' ' ' ILE . 67.7 mt -63.52 -36.06 82.53 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.936 -0.478 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.521 ' O ' HG12 ' A' ' 100' ' ' ILE . 5.3 tp10 -74.97 -39.86 61.06 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.522 -0.737 . . . . 0.0 110.188 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.83 -45.19 49.98 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.806 -0.559 . . . . 0.0 110.281 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 74.5 m -64.8 -44.05 91.2 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.449 -0.782 . . . . 0.0 109.264 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.93 -30.78 49.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 O-C-N 121.882 -0.511 . . . . 0.0 109.973 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 96' ' ' GLU . 39.8 mm -57.94 -52.07 62.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.606 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -78.73 -173.52 3.49 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.76 -18.75 57.36 Favored Glycine 0 CA--C 1.541 1.657 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.3 t -62.25 152.98 6.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.211 -1.17 . . . . 0.0 109.311 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.87 -111.47 1.47 Allowed Glycine 0 CA--C 1.533 1.176 0 C-N-CA 120.062 -1.066 . . . . 0.0 110.491 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.428 ' HB ' ' HG2' ' A' ' 112' ' ' LYS . 27.0 m -109.0 169.16 3.41 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 O-C-N 121.521 -0.988 . . . . 0.0 110.129 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.2 p -103.78 -172.37 2.1 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -117.27 -23.68 7.75 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.018 -1.051 . . . . 0.0 110.698 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.74 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 51.1 m -73.19 -59.69 2.02 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 121.039 -1.038 . . . . 0.0 111.032 -177.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.74 ' HD3' ' HB ' ' A' ' 108' ' ' THR . 53.2 Cg_endo -76.28 158.01 37.29 Favored 'Trans proline' 0 C--N 1.352 0.763 0 O-C-N 123.29 1.153 . . . . 0.0 111.938 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 110' ' ' LEU . 26.5 tp -86.15 -6.54 58.98 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -56.75 -8.22 0.55 Allowed 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.361 -0.837 . . . . 0.0 111.48 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.428 ' HG2' ' HB ' ' A' ' 105' ' ' VAL . 56.6 mtpt -45.44 -56.3 5.17 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.319 -0.863 . . . . 0.0 109.885 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -120.83 24.76 10.07 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.613 -0.68 . . . . 0.0 110.413 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -34.29 51.16 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 120.891 -1.13 . . . . 0.0 108.771 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.762 ' HB3' HG21 ' A' ' 55' ' ' VAL . 23.2 t -73.43 -39.24 65.17 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.811 HD13 ' HG3' ' A' ' 58' ' ' GLU . 70.2 mt -64.36 -34.28 68.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 117' ' ' LEU . 5.9 mt -65.19 -35.56 81.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.521 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -68.16 -44.36 76.16 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.85 -23.66 31.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.78 -46.55 62.68 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.43 64.45 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.524 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 54.5 t80 -68.76 -49.69 56.62 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.467 -0.771 . . . . 0.0 109.061 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -70.25 -26.86 64.03 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.794 -0.566 . . . . 0.0 109.961 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -63.87 -42.23 97.56 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.4 -39.67 94.3 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.588 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 61.7 mt -62.97 -36.88 77.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.593 -0.692 . . . . 0.0 109.586 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.4 m -68.44 -41.28 80.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.432 -0.793 . . . . 0.0 109.967 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 128' ' ' LEU . 4.1 mm? -69.96 -34.15 73.02 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.446 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 22.0 t80 -65.22 -42.25 93.63 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.44 -0.788 . . . . 0.0 108.893 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 27.6 mt -63.31 -35.56 80.77 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -34.87 77.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.41 -0.806 . . . . 0.0 109.359 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.59 -52.9 48.63 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.623 -0.673 . . . . 0.0 109.736 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.5 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.5 mptt -79.3 1.47 24.89 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.765 -0.584 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 56.53 46.31 20.77 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.393 -0.817 . . . . 0.0 109.799 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.418 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 78.7 m-85 58.38 52.79 6.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.766 -0.584 . . . . 0.0 110.412 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.47 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.0 m -80.43 162.82 59.63 Favored Pre-proline 0 C--O 1.217 -0.644 0 O-C-N 121.309 -0.87 . . . . 0.0 109.378 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -69.86 -41.74 3.89 Favored 'Trans proline' 0 C--N 1.351 0.668 0 O-C-N 123.802 1.422 . . . . 0.0 111.114 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.79 -42.11 91.14 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.613 -0.679 . . . . 0.0 109.346 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.64 -37.02 85.39 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.561 -0.712 . . . . 0.0 109.625 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 10.2 m95 -66.49 -34.8 78.74 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.518 -0.739 . . . . 0.0 110.429 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.18 -37.93 66.35 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.678 HG21 ' O ' ' A' ' 32' ' ' ASP . 48.4 t -60.78 -38.64 79.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.8 t -73.6 -30.06 28.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.469 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 3.0 tmt_? -60.71 -52.09 66.59 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.132 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.01 85.96 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.42 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 4.8 mm-40 -70.42 -29.28 65.85 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.775 -0.578 . . . . 0.0 110.379 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.5 mm -77.2 -30.95 17.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 O-C-N 121.306 -0.872 . . . . 0.0 109.102 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.517 ' HG3' HD22 ' A' ' 15' ' ' LEU . 23.7 ttm -73.83 -39.56 63.95 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.482 -0.761 . . . . 0.0 109.056 178.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' A' ' 149' ' ' ARG . 12.8 mmt180 -72.71 -40.69 65.96 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 121.511 -0.743 . . . . 0.0 109.624 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.606 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.0 p -66.75 -38.49 86.73 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.439 -0.788 . . . . 0.0 109.628 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.908 ' HB3' HD21 ' A' ' 15' ' ' LEU . 56.4 t80 -72.29 -40.38 67.6 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.499 -0.751 . . . . 0.0 109.552 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 92.1 p -65.84 -34.56 78.44 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.276 -0.89 . . . . 0.0 108.691 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.801 HD22 ' HG3' ' A' ' 40' ' ' GLN . 68.6 mt -68.58 -37.15 79.62 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.694 -0.629 . . . . 0.0 109.454 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 28.2 p -66.45 -36.6 83.19 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.476 -0.765 . . . . 0.0 109.409 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.867 HG21 ' HB3' ' A' ' 11' ' ' SER . 18.2 p -97.12 1.29 49.77 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.847 -0.533 . . . . 0.0 110.54 -176.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.23 -4.65 43.01 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.156 -0.965 . . . . 0.0 110.52 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 43' ' ' PHE . 4.2 mm? -64.52 -35.99 82.74 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 120.991 -1.068 . . . . 0.0 109.042 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -80.87 -41.87 22.43 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.574 -0.704 . . . . 0.0 109.213 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.67 -23.65 65.34 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.59 -0.694 . . . . 0.0 110.158 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.1 m -119.03 40.03 3.4 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.556 -0.715 . . . . 0.0 109.197 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 48' ' ' GLN . 48.4 tp -77.02 -56.51 4.52 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.082 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.417 ' HG2' ' HG ' ' A' ' 161' ' ' LEU . 17.4 mmt85 -137.17 52.94 1.9 Allowed 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 68.8 p -131.91 49.08 2.35 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.337 -0.852 . . . . 0.0 109.603 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 164' ' ' LYS . 56.3 tptt -147.72 85.82 1.57 Allowed 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.201 -0.937 . . . . 0.0 109.095 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.361 -179.659 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.825 ' CB ' HG21 ' A' ' 103' ' ' VAL . 39.6 t . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 121.583 0.706 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.559 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.5 OUTLIER -76.86 72.71 3.47 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-O 121.687 0.756 . . . . 0.0 109.58 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.598 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -70.89 -57.08 5.3 Favored Pre-proline 0 C--O 1.216 -0.699 0 O-C-N 121.319 -0.863 . . . . 0.0 109.014 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 47.3 Cg_endo -74.54 159.06 43.38 Favored 'Trans proline' 0 C--N 1.353 0.813 0 O-C-N 123.817 1.43 . . . . 0.0 110.615 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -143.23 66.31 1.31 Allowed 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.334 -0.854 . . . . 0.0 109.701 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 p -123.13 -59.5 1.57 Allowed 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.375 -0.828 . . . . 0.0 109.003 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -93.99 170.38 9.59 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.527 -0.733 . . . . 0.0 109.112 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.4 t -152.15 132.86 14.01 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.4 pt? -147.15 18.6 1.23 Allowed 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.658 -0.651 . . . . 0.0 110.438 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.09 -71.83 0.65 Allowed Glycine 0 C--O 1.215 -1.048 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -64.68 -42.63 95.22 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.797 -0.825 . . . . 0.0 110.196 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -62.5 -39.76 94.54 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 49.7 mmm-85 -69.47 -33.69 73.28 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.691 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -63.23 -43.32 98.41 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.42 -0.8 . . . . 0.0 108.98 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.969 HD21 ' HB3' ' A' ' 151' ' ' PHE . 98.1 mt -68.38 -30.92 69.97 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.7 ttp -65.49 -36.89 85.2 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.935 HD11 ' HG3' ' A' ' 87' ' ' GLU . 81.6 mt -62.85 -44.4 96.23 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 15' ' ' LEU . 34.4 mt -59.29 -40.78 87.23 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.822 -0.549 . . . . 0.0 109.712 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.21 97.37 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.475 -0.766 . . . . 0.0 109.743 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.84 -33.08 73.22 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.439 -0.788 . . . . 0.0 109.957 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.488 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 21.6 mtp -66.19 -23.43 66.45 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.434 -0.791 . . . . 0.0 110.963 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -49.68 128.0 16.98 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HE3' ' CZ3' ' A' ' 76' ' ' TRP . 2.4 mtmp? -109.35 -28.44 8.96 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.856 -0.527 . . . . 0.0 109.882 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.823 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pt -129.42 171.7 16.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 121.467 -0.771 . . . . 0.0 109.929 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -86.18 137.63 32.5 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.554 -0.717 . . . . 0.0 109.077 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.84 -32.92 74.84 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.636 -0.665 . . . . 0.0 109.378 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -63.28 -37.73 88.38 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.8 m -65.86 -29.46 69.91 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.823 ' SG ' HD12 ' A' ' 24' ' ' ILE . 67.2 m -105.15 47.39 0.88 Allowed 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.451 -0.781 . . . . 0.0 110.301 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 mt -85.13 -2.4 57.97 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.152 -0.967 . . . . 0.0 110.031 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -81.83 -30.67 32.04 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.416 -0.802 . . . . 0.0 108.982 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.658 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.2 m-20 -108.14 23.08 15.04 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.614 -0.678 . . . . 0.0 109.93 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -82.82 114.63 21.27 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.952 -1.092 . . . . 0.0 109.207 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -145.13 127.47 15.86 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -74.1 136.19 42.97 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.324 -0.86 . . . . 0.0 109.182 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 59.8 m-85 -87.11 -41.66 13.63 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.559 -0.713 . . . . 0.0 109.771 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.17 71.15 0.62 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 89.9 t80 -67.23 132.76 93.4 Favored Pre-proline 0 C--O 1.217 -0.625 0 O-C-N 121.54 -0.977 . . . . 0.0 108.932 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.3 Cg_endo -81.88 68.28 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 O-C-N 123.653 1.343 . . . . 0.0 111.291 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 5.2 tp60 -73.11 -20.02 61.03 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.233 -0.917 . . . . 0.0 108.796 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.54 -30.03 69.5 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.286 -0.884 . . . . 0.0 108.856 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -88.89 11.21 18.65 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.548 -0.72 . . . . 0.0 109.439 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.768 ' O ' HD21 ' A' ' 157' ' ' LEU . 12.4 m-85 -124.3 15.33 9.01 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.416 -0.802 . . . . 0.0 109.109 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.65 -91.77 1.68 Allowed Glycine 0 C--O 1.218 -0.883 0 O-C-N 120.88 -1.137 . . . . 0.0 110.41 -178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -89.56 165.18 14.43 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.74 -0.859 . . . . 0.0 109.858 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 67.44 14.57 9.67 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.762 -0.586 . . . . 0.0 109.529 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.823 ' HB3' HG23 ' A' ' 52' ' ' THR . 85.2 m-85 -147.23 43.81 1.13 Allowed 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 72.2 tp60 -119.21 149.44 41.75 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.438 -0.789 . . . . 0.0 109.563 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 59.5 mttp 77.35 65.45 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.412 0.625 . . . . 0.0 109.754 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.777 ' HB1' ' HA2' ' A' ' 104' ' ' GLY . . . 56.72 36.5 27.75 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.694 -0.629 . . . . 0.0 110.858 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HA ' HG11 ' A' ' 105' ' ' VAL . 94.0 mt-10 -102.83 -23.77 13.75 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.042 -1.036 . . . . 0.0 109.768 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.823 HG23 ' HB3' ' A' ' 47' ' ' PHE . 2.3 p -84.0 -15.0 49.27 Favored 'General case' 0 C--O 1.211 -0.973 0 O-C-N 121.749 -0.594 . . . . 0.0 109.906 178.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.58 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 58.7 mt -45.42 -46.17 33.6 Favored Pre-proline 0 C--O 1.213 -0.846 0 O-C-N 121.479 -0.763 . . . . 0.0 111.68 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.0 Cg_endo -65.27 -39.37 23.16 Favored 'Trans proline' 0 C--N 1.355 0.918 0 O-C-N 123.017 1.009 . . . . 0.0 110.985 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.733 ' HA ' HG12 ' A' ' 116' ' ' ILE . 16.1 t -69.78 -37.76 74.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 20.3 mt -65.55 -34.54 78.49 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 92' ' ' LEU . 45.2 t-80 -60.18 -46.54 89.37 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' CG ' HG23 ' A' ' 116' ' ' ILE . 3.8 tm-20 -69.28 -30.62 68.76 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.461 -0.775 . . . . 0.0 109.07 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 tpp -63.2 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.465 -0.772 . . . . 0.0 109.126 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.629 HG21 ' HG ' ' A' ' 92' ' ' LEU . 8.0 mm -73.8 -30.31 28.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 O-C-N 121.321 -0.862 . . . . 0.0 109.227 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -73.12 -32.07 64.7 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.469 -0.769 . . . . 0.0 109.447 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' HB3' ' CD2' ' A' ' 123' ' ' PHE . 30.8 mm-40 -76.02 -40.54 53.34 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.376 -0.827 . . . . 0.0 109.678 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.596 HG23 ' CE1' ' A' ' 67' ' ' PHE . 83.8 mt -75.24 -29.61 21.8 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 121.316 -0.865 . . . . 0.0 108.779 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' HA ' HD13 ' A' ' 88' ' ' LEU . 28.8 t80 -65.22 -44.59 87.81 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.311 -0.868 . . . . 0.0 109.365 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.656 ' O ' HG23 ' A' ' 69' ' ' THR . 56.2 t30 -79.87 -38.75 32.02 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.469 -0.77 . . . . 0.0 110.053 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 130' ' ' LEU . 34.5 tp -59.2 -31.34 68.94 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.394 -0.816 . . . . 0.0 109.379 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.596 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.2 m-85 -95.62 -27.09 15.49 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.574 -0.704 . . . . 0.0 109.945 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -75.18 -22.59 57.93 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.282 -0.886 . . . . 0.0 110.39 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 65' ' ' ASN . 14.4 p -51.38 148.87 4.54 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.394 -0.817 . . . . 0.0 110.263 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.56 -26.69 67.1 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.597 -0.689 . . . . 0.0 109.805 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.4 p30 -74.81 -32.59 62.03 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.45 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 20.8 t -90.76 -29.44 17.64 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.298 -0.876 . . . . 0.0 109.752 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.515 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 38.3 t -66.87 -37.03 83.66 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.76 34.69 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.08 86.08 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.568 -0.707 . . . . 0.0 109.805 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.473 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 82.4 m95 -107.77 171.99 7.08 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.359 0.599 . . . . 0.0 109.767 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.503 ' OD2' HD12 ' A' ' 80' ' ' LEU . 37.5 m-20 -68.4 130.84 44.06 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.3 pp20? -63.33 -26.9 68.98 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.404 -0.81 . . . . 0.0 110.482 -178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.8 m -77.93 -45.01 25.18 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.059 -1.025 . . . . 0.0 108.869 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.503 HD12 ' OD2' ' A' ' 77' ' ' ASP . 84.9 mt -63.19 -38.41 91.05 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.515 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.8 mt -71.41 -33.14 69.19 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 8.9 t70 -55.56 -48.51 74.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.71 -33.42 74.86 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.814 ' HA ' HD13 ' A' ' 17' ' ' LEU . 25.3 t80 -67.18 -27.54 67.36 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.658 -0.651 . . . . 0.0 109.694 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -78.41 -43.83 26.43 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.125 -0.984 . . . . 0.0 109.156 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.2 m -64.3 -37.74 88.55 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.8 -0.563 . . . . 0.0 109.565 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.935 ' HG3' HD11 ' A' ' 17' ' ' LEU . 48.0 mm-40 -72.22 -36.83 69.25 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 121.484 -0.76 . . . . 0.0 109.41 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 84' ' ' PHE . 47.3 mt -66.23 -37.03 84.57 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.55 -0.719 . . . . 0.0 109.766 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.29 -39.52 59.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.342 -0.849 . . . . 0.0 109.993 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.78 -48.4 69.13 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.364 -0.835 . . . . 0.0 109.563 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.64 -28.25 69.49 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.504 -0.748 . . . . 0.0 109.066 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.629 ' HG ' HG21 ' A' ' 60' ' ' ILE . 2.0 mt -67.14 -43.77 81.49 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.406 -0.809 . . . . 0.0 108.975 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -60.78 -36.82 79.95 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -66.96 -41.23 87.26 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.558 -0.714 . . . . 0.0 109.274 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.04 -47.94 80.86 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.737 -0.602 . . . . 0.0 110.264 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 100' ' ' ILE . 26.7 pt-20 -70.66 -26.66 63.55 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.392 -0.817 . . . . 0.0 110.299 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.9 79.19 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.304 -0.872 . . . . 0.0 109.09 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.449 ' HB2' HG21 ' A' ' 53' ' ' ILE . 85.2 m -61.74 -45.97 91.62 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.26 -41.18 86.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 O-C-N 121.899 -0.501 . . . . 0.0 110.055 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 96' ' ' GLU . 85.3 mt -65.27 -54.02 33.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 O-C-N 121.356 -0.84 . . . . 0.0 110.004 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.642 ' HB2' HG22 ' A' ' 103' ' ' VAL . 81.7 mm-40 -71.11 172.81 8.5 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.74 -0.6 . . . . 0.0 110.013 -178.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.65 -21.19 64.73 Favored Glycine 0 CA--C 1.536 1.388 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.825 HG21 ' CB ' ' A' ' 1' ' ' CYS . 35.9 m -64.59 177.68 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 O-C-N 121.314 -1.109 . . . . 0.0 109.959 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.777 ' HA2' ' HB1' ' A' ' 50' ' ' ALA . . . 82.27 -137.72 17.43 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 51' ' ' GLU . 13.8 p -159.07 144.91 7.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 O-C-N 121.498 -1.001 . . . . 0.0 109.464 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -168.66 148.48 4.42 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 121.873 0.844 . . . . 0.0 110.38 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -158.17 -65.48 0.09 Allowed 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.584 HG23 HD13 ' A' ' 110' ' ' LEU . 5.0 t -169.91 135.79 1.29 Allowed Pre-proline 0 C--O 1.218 -0.598 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -72.18 94.1 0.74 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 O-C-N 123.551 1.29 . . . . 0.0 111.868 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.584 HD13 HG23 ' A' ' 108' ' ' THR . 6.0 mp -122.65 -64.18 1.21 Allowed 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 ptm -114.47 12.7 17.46 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -68.61 -31.3 70.36 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.268 -0.895 . . . . 0.0 109.65 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.4 10.81 11.74 Favored 'General case' 0 C--O 1.211 -0.951 0 O-C-N 121.359 -0.838 . . . . 0.0 110.308 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -79.24 -43.98 22.68 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 120.741 -1.225 . . . . 0.0 108.898 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.497 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 19.5 t -66.54 -40.03 88.86 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.733 HG12 ' HA ' ' A' ' 55' ' ' VAL . 53.2 mt -68.72 -31.22 49.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.23 -33.78 75.02 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.548 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.85 -48.69 73.4 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.76 -30.85 51.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -68.1 -40.23 82.66 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.246 -0.909 . . . . 0.0 109.697 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -68.47 -35.99 78.34 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.408 -0.808 . . . . 0.0 108.925 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 126' ' ' ILE . 83.0 t80 -63.85 -47.24 81.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 62' ' ' GLN . 13.1 m-85 -70.46 -26.01 63.44 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.754 -0.591 . . . . 0.0 110.107 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -64.28 -41.34 96.95 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -67.63 -38.36 83.76 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.787 HD11 ' CE2' ' A' ' 122' ' ' TYR . 57.8 mt -62.27 -38.04 80.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.525 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.452 HG22 ' HE2' ' A' ' 131' ' ' LYS . 23.1 m -67.32 -41.28 85.56 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.405 -0.809 . . . . 0.0 109.666 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.2 mm? -67.95 -36.21 79.72 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.425 -0.797 . . . . 0.0 109.579 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -63.24 -38.86 92.83 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.498 -0.751 . . . . 0.0 109.342 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 135' ' ' TYR . 64.0 mt -67.28 -42.43 83.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.759 -0.588 . . . . 0.0 109.478 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.46 ' HE3' HD13 ' A' ' 128' ' ' LEU . 56.0 mtmt -70.57 -24.02 62.7 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.802 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.01 -49.17 25.57 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.487 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 13.4 mptt -80.67 1.86 28.28 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.574 -0.704 . . . . 0.0 109.796 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp 60.73 40.02 16.71 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.384 -0.823 . . . . 0.0 109.924 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' A' ' 130' ' ' LEU . 67.2 m-85 58.83 51.66 7.29 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.703 -0.623 . . . . 0.0 110.43 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.437 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 38.2 m -79.21 160.6 70.4 Favored Pre-proline 0 C--O 1.217 -0.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.254 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.8 -36.15 14.4 Favored 'Trans proline' 0 C--N 1.35 0.638 0 O-C-N 123.744 1.392 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.42 -41.99 75.61 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.475 -0.766 . . . . 0.0 109.145 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.53 -36.45 83.85 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.583 -0.698 . . . . 0.0 109.63 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.45 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.0 m95 -68.95 -39.3 79.6 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 110.055 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.7 -36.53 82.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 109.145 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.658 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.4 t -62.67 -42.82 97.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 139' ' ' ALA . 96.7 t -72.36 -24.2 21.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 121.722 -0.611 . . . . 0.0 109.763 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.472 ' HB3' ' NH1' ' A' ' 144' ' ' ARG . 0.2 OUTLIER -69.99 -47.01 63.92 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.091 -1.006 . . . . 0.0 108.888 179.405 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.11 79.74 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.455 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 56.5 mm-40 -66.52 -37.16 84.42 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.635 -0.665 . . . . 0.0 109.409 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 mm -69.42 -36.95 74.15 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.597 ' CG ' HD22 ' A' ' 15' ' ' LEU . 25.7 ttm -63.89 -49.68 71.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.503 -0.748 . . . . 0.0 109.882 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.61 -44.4 90.69 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.686 -0.634 . . . . 0.0 110.21 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.504 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 64.8 m -65.37 -30.83 71.7 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.969 ' HB3' HD21 ' A' ' 15' ' ' LEU . 34.2 t80 -71.64 -42.57 67.41 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.567 -0.708 . . . . 0.0 109.579 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.8 t -65.96 -35.88 81.8 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.538 -0.726 . . . . 0.0 109.234 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 62.7 mt -65.62 -48.49 72.05 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.646 -0.659 . . . . 0.0 110.046 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 12.4 m -63.86 -45.21 90.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.615 -0.678 . . . . 0.0 110.147 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.429 HG21 ' CE2' ' A' ' 151' ' ' PHE . 67.8 p -78.12 -7.97 57.66 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.447 -0.783 . . . . 0.0 110.875 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -64.52 -17.56 64.01 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.892 -1.13 . . . . 0.0 110.484 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.768 HD21 ' O ' ' A' ' 43' ' ' PHE . 4.1 mm? -66.26 -26.51 67.38 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 120.984 -1.072 . . . . 0.0 110.211 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -52.86 -48.5 67.04 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.289 -0.882 . . . . 0.0 109.03 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -145.77 113.48 6.39 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.459 ' HB2' HD12 ' A' ' 161' ' ' LEU . 31.4 p -105.62 -79.32 0.56 Allowed 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.868 -0.52 . . . . 0.0 110.487 -177.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 160' ' ' SER . 4.4 mp -135.65 -172.12 3.01 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.12 -0.987 . . . . 0.0 110.223 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -107.47 58.75 0.62 Allowed 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 121.519 0.676 . . . . 0.0 109.319 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 81.5 p -67.56 157.52 34.19 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.287 -0.883 . . . . 0.0 109.923 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 164' ' ' LYS . 55.2 tptt -95.03 62.68 2.6 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 118.375 -0.821 . . . . 0.0 109.227 -179.642 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.628 ' HB2' HG21 ' A' ' 103' ' ' VAL . 22.2 p . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.319 0.58 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -147.52 65.12 1.13 Allowed 'General case' 0 C--O 1.22 -0.473 0 O-C-N 121.504 -0.748 . . . . 0.0 109.508 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.797 HD21 HG21 ' A' ' 103' ' ' VAL . 1.1 mm? -93.94 -54.11 0.24 Allowed Pre-proline 0 C--O 1.217 -0.645 0 O-C-N 121.431 -0.793 . . . . 0.0 109.193 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.761 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 54.0 Cg_endo -89.42 170.23 4.7 Favored 'Trans proline' 0 C--N 1.358 1.038 0 O-C-N 123.352 1.185 . . . . 0.0 110.391 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -153.14 66.09 0.78 Allowed 'General case' 0 C--O 1.219 -0.547 0 O-C-N 121.335 -0.853 . . . . 0.0 109.536 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 p -136.99 -86.42 0.31 Allowed 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.429 -0.795 . . . . 0.0 109.282 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -109.16 157.57 18.64 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.351 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.7 p -171.95 102.48 0.18 Allowed 'General case' 0 C--O 1.219 -0.526 0 O-C-N 121.523 -0.735 . . . . 0.0 109.839 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -172.1 84.29 0.07 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.596 -0.69 . . . . 0.0 109.24 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA3' ' HG2' ' A' ' 91' ' ' GLN . . . -111.15 -52.33 0.57 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.769 ' HB3' HG21 ' A' ' 155' ' ' THR . 66.0 m -56.18 -36.73 68.7 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.776 -0.838 . . . . 0.0 110.711 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -48.03 77.91 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.373 -0.829 . . . . 0.0 110.07 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.18 -30.19 66.11 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.303 -0.873 . . . . 0.0 110.061 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.541 ' CG2' ' HE1' ' A' ' 84' ' ' PHE . 88.8 m -61.58 -43.56 98.64 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.208 -0.933 . . . . 0.0 109.154 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 151' ' ' PHE . 34.4 mt -70.98 -32.2 68.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 ttp -63.59 -35.39 80.36 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.992 HD13 ' HA ' ' A' ' 84' ' ' PHE . 45.6 mt -63.67 -46.66 84.59 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD12 HD23 ' A' ' 15' ' ' LEU . 65.5 mt -57.48 -35.33 70.05 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.869 -0.519 . . . . 0.0 109.78 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.85 88.18 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.826 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.17 -34.91 73.58 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.477 -0.764 . . . . 0.0 109.832 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.493 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 16.0 mtm -66.1 -27.86 68.38 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.417 -0.802 . . . . 0.0 110.097 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -47.48 122.69 4.95 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.576 -0.703 . . . . 0.0 109.919 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 11.9 mtpt -106.69 -33.18 7.69 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.923 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -128.43 171.41 16.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.648 -0.657 . . . . 0.0 110.055 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -92.56 151.85 19.93 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.673 -0.642 . . . . 0.0 109.588 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.43 -31.69 72.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -68.04 -38.4 82.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.456 -0.778 . . . . 0.0 109.093 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.5 m -66.91 -29.14 68.95 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.487 -0.758 . . . . 0.0 109.12 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.923 ' SG ' HD12 ' A' ' 24' ' ' ILE . 32.0 m -108.88 51.2 0.75 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.56 -0.713 . . . . 0.0 110.057 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.7 mt -82.0 -0.91 46.33 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.119 -0.988 . . . . 0.0 110.231 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.43 -27.13 34.84 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.282 -0.886 . . . . 0.0 109.063 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.762 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.4 m-20 -104.0 21.19 16.84 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 109.434 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -78.2 123.12 26.55 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.117 -0.989 . . . . 0.0 110.075 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 123.12 5.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.8 121.08 16.55 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.433 -0.792 . . . . 0.0 109.471 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.546 ' HE2' ' HB2' ' A' ' 129' ' ' TYR . 77.3 m-85 -75.93 -52.6 9.94 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.649 -0.657 . . . . 0.0 109.498 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.88 66.3 0.34 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.516 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 68.9 t80 -66.29 127.67 93.4 Favored Pre-proline 0 C--O 1.215 -0.717 0 O-C-N 121.519 -0.989 . . . . 0.0 108.782 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.687 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 54.3 Cg_endo -79.58 71.53 6.99 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.748 1.394 . . . . 0.0 111.108 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.543 ' OE1' HD22 ' A' ' 153' ' ' LEU . 7.4 tt0 -75.06 -15.29 60.63 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.304 -0.872 . . . . 0.0 109.308 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.59 -31.32 69.35 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.289 -0.882 . . . . 0.0 108.793 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 2.4 tp10 -93.29 24.14 4.04 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.488 -0.758 . . . . 0.0 109.352 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 26.6 m-85 -136.89 23.5 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.181 -0.95 . . . . 0.0 109.59 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.73 -96.01 2.09 Favored Glycine 0 C--O 1.217 -0.939 0 O-C-N 120.825 -1.172 . . . . 0.0 110.562 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -73.82 143.49 45.91 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.853 -0.792 . . . . 0.0 109.24 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 60.1 28.5 18.06 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.534 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 38.2 m-85 -147.88 55.84 1.07 Allowed 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.492 -0.755 . . . . 0.0 109.015 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -74.74 -179.08 3.95 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.367 -0.833 . . . . 0.0 109.532 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' HG3' ' A' ' 158' ' ' GLN . 25.4 mtpt -70.6 -12.8 61.79 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.146 -0.971 . . . . 0.0 110.725 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.576 ' HA ' HD11 ' A' ' 53' ' ' ILE . . . -103.79 2.92 33.43 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.306 -0.871 . . . . 0.0 109.55 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -116.27 -33.35 5.01 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.359 -0.838 . . . . 0.0 109.826 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.534 ' CG2' ' HB3' ' A' ' 47' ' ' PHE . 38.2 p -84.94 2.57 42.24 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 121.53 -0.731 . . . . 0.0 110.098 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.658 HD13 ' SG ' ' A' ' 98' ' ' CYS . 76.9 mt -47.78 -48.39 60.68 Favored Pre-proline 0 C--O 1.216 -0.684 0 O-C-N 121.364 -0.835 . . . . 0.0 111.22 -178.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -65.24 -35.52 40.59 Favored 'Trans proline' 0 C--N 1.353 0.801 0 O-C-N 123.247 1.13 . . . . 0.0 110.696 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.765 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.9 t -69.96 -38.57 75.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.617 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 86.1 mt -69.26 -29.85 67.84 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -67.48 -45.33 76.21 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.458 -0.776 . . . . 0.0 109.122 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.667 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.1 tm-20 -74.45 -29.8 61.61 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.193 -0.942 . . . . 0.0 109.73 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -66.4 -45.93 78.31 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.277 -0.889 . . . . 0.0 109.159 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.69 HG23 HD22 ' A' ' 88' ' ' LEU . 26.9 mt -71.01 -24.22 24.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 121.616 -0.677 . . . . 0.0 109.325 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -72.87 -35.14 67.11 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.08 -39.28 75.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.715 -0.616 . . . . 0.0 109.461 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 67' ' ' PHE . 73.5 mt -71.67 -34.34 51.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' HA ' HD13 ' A' ' 88' ' ' LEU . 46.1 t80 -59.71 -44.07 93.85 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.464 -0.773 . . . . 0.0 109.581 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.675 ' O ' HG23 ' A' ' 69' ' ' THR . 20.2 t-20 -79.71 -38.89 32.42 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.586 -0.697 . . . . 0.0 109.94 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 130' ' ' LEU . 38.1 tp -57.43 -32.33 66.79 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.469 -0.769 . . . . 0.0 109.803 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 63' ' ' ILE . 25.4 m-85 -96.23 -29.62 13.92 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 109.806 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.2 t -68.39 -20.81 64.7 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.357 -0.839 . . . . 0.0 110.259 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 65' ' ' ASN . 24.3 p -55.31 149.95 12.11 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.934 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 48.0 mmtm -64.31 -21.9 66.77 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.56 -0.713 . . . . 0.0 110.241 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 0.8 OUTLIER -76.2 -37.66 57.5 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.685 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.471 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 29.5 t -82.08 -30.7 31.14 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.217 -0.927 . . . . 0.0 109.838 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 98.6 p -66.45 -37.74 85.81 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.523 -0.736 . . . . 0.0 109.241 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -20.48 43.96 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.56 -32.97 62.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.566 ' CE3' ' HD2' ' A' ' 23' ' ' LYS . 80.5 m95 -117.82 174.34 6.24 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.562 -0.711 . . . . 0.0 109.929 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' HB2' HD12 ' A' ' 80' ' ' LEU . 2.9 m-20 -69.34 133.76 48.24 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -65.56 -29.09 69.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.475 -0.765 . . . . 0.0 110.522 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.9 m -78.43 -42.46 29.98 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.493 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 96.4 mt -64.74 -37.48 87.75 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.23 -33.21 69.67 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.65 -49.15 75.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.93 -33.61 76.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.992 ' HA ' HD13 ' A' ' 17' ' ' LEU . 7.6 t80 -66.44 -30.71 71.13 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.725 -0.609 . . . . 0.0 109.68 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -74.89 -41.47 59.7 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.196 -0.94 . . . . 0.0 109.25 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.7 m -65.8 -38.47 89.06 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.621 -0.674 . . . . 0.0 109.516 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.84 ' HG3' HD11 ' A' ' 17' ' ' LEU . 63.2 mm-40 -74.46 -30.5 61.89 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.454 -0.778 . . . . 0.0 109.682 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.69 HD22 HG23 ' A' ' 60' ' ' ILE . 48.4 mt -69.92 -35.33 74.48 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CE2' ' CZ ' ' A' ' 64' ' ' PHE . 2.2 m-85 -72.27 -38.17 68.87 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.7 -0.625 . . . . 0.0 109.919 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -71.65 -39.56 70.26 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.317 -0.865 . . . . 0.0 109.683 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.594 ' HB3' HD13 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -65.92 -36.22 82.78 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.23 -50.6 67.37 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -54.87 -43.27 73.0 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.941 -0.474 . . . . 0.0 109.929 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.41 -46.97 86.16 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.35 -0.844 . . . . 0.0 108.781 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.595 HD23 HG23 ' A' ' 53' ' ' ILE . 56.9 mt -60.54 -27.89 68.01 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 109.977 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 100' ' ' ILE . 86.2 tt0 -79.13 -35.86 41.49 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 121.349 -0.844 . . . . 0.0 109.936 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.0 -44.8 64.28 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.599 -0.688 . . . . 0.0 109.799 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.658 ' SG ' HD13 ' A' ' 53' ' ' ILE . 90.5 m -61.15 -46.34 90.94 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 95' ' ' LEU . 46.1 t -61.0 -31.74 50.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.866 -0.521 . . . . 0.0 110.505 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 96' ' ' GLU . 71.5 mt -57.49 -53.67 41.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 121.225 -0.922 . . . . 0.0 109.821 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -85.97 175.06 8.81 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.707 -0.621 . . . . 0.0 109.96 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.57 -34.49 86.2 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.797 HG21 HD21 ' A' ' 3' ' ' LEU . 3.1 m -53.1 158.71 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 O-C-N 121.762 -0.846 . . . . 0.0 110.158 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.74 -61.28 2.37 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -111.92 176.31 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 O-C-N 121.769 -0.842 . . . . 0.0 109.415 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.722 HG23 ' H ' ' A' ' 108' ' ' THR . 12.6 t -169.79 -160.01 0.23 Allowed 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.28 -0.888 . . . . 0.0 109.59 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 108' ' ' THR . 97.0 mt-10 -57.62 -21.05 37.17 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.5 -0.75 . . . . 0.0 110.99 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.722 ' H ' HG23 ' A' ' 106' ' ' THR . 9.2 t -36.68 136.88 0.56 Allowed Pre-proline 0 N--CA 1.473 0.716 0 O-C-N 121.813 -0.554 . . . . 0.0 111.245 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.71 174.0 8.21 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 O-C-N 124.3 1.684 . . . . 0.0 111.672 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.07 -7.66 0.15 Allowed 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.2 ptm -47.99 -26.46 1.78 Allowed 'General case' 0 C--O 1.213 -0.831 0 O-C-N 120.816 -1.178 . . . . 0.0 110.824 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -60.13 -21.39 61.53 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.823 -1.173 . . . . 0.0 110.061 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.38 -34.92 54.83 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.282 -0.886 . . . . 0.0 110.852 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 2.8 p30 -62.55 -23.22 66.88 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.786 -1.196 . . . . 0.0 110.45 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.616 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 32.6 t -69.42 -41.72 75.97 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.765 HG12 ' HA ' ' A' ' 55' ' ' VAL . 78.2 mt -68.67 -37.73 77.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 117' ' ' LEU . 43.4 mt -63.7 -34.17 77.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.76 -0.588 . . . . 0.0 109.487 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.687 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.91 -44.73 84.33 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.75 -25.6 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -71.33 -44.52 64.93 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.152 -0.967 . . . . 0.0 109.768 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -71.64 -26.44 62.55 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.373 -0.829 . . . . 0.0 109.233 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.72 ' CE2' HD11 ' A' ' 126' ' ' ILE . 80.7 t80 -68.13 -52.03 39.48 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.434 -0.791 . . . . 0.0 109.038 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.417 ' HA ' HD12 ' A' ' 126' ' ' ILE . 16.2 m-85 -67.49 -27.36 66.94 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.746 -0.596 . . . . 0.0 109.929 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.74 -42.02 99.46 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -66.6 -37.16 84.31 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.72 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.6 mt -63.08 -37.54 79.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.62 -0.675 . . . . 0.0 109.522 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -67.33 -41.62 84.95 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.395 -0.816 . . . . 0.0 109.667 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -69.33 -33.89 73.82 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.299 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.546 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 20.6 t80 -65.0 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.498 -0.751 . . . . 0.0 109.328 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 50.1 mt -68.01 -39.25 83.2 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.692 -0.63 . . . . 0.0 109.506 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.8 -25.37 61.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.099 -1.0 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.2 -47.6 49.41 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.298 -0.876 . . . . 0.0 109.124 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -81.9 2.86 28.52 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.88 -0.513 . . . . 0.0 109.83 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 61.86 36.48 15.94 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.504 -0.748 . . . . 0.0 110.034 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 64.8 m-85 58.28 49.19 11.44 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.632 -0.667 . . . . 0.0 110.181 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.454 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 25.4 m -78.16 161.63 69.87 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.295 -0.878 . . . . 0.0 109.497 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.2 Cg_endo -69.19 -34.27 16.86 Favored 'Trans proline' 0 C--N 1.352 0.718 0 O-C-N 123.773 1.407 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.41 -39.26 68.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.417 -0.802 . . . . 0.0 109.078 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.428 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.6 -40.02 94.77 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.471 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 24.1 m95 -67.89 -31.56 71.45 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.632 -0.667 . . . . 0.0 109.76 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -65.86 -39.97 91.23 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.332 -0.855 . . . . 0.0 108.898 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.762 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.7 t -67.34 -41.37 86.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 139' ' ' ALA . 66.1 t -70.86 -23.27 23.65 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 121.623 -0.673 . . . . 0.0 109.509 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.442 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 27.6 ttp85 -72.69 -46.71 52.37 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.542 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.05 75.23 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.79 -37.58 70.41 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.617 -0.677 . . . . 0.0 109.686 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -68.83 -38.03 78.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 O-C-N 121.311 -0.868 . . . . 0.0 108.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 31.9 ttm -64.06 -49.91 70.46 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.608 -0.683 . . . . 0.0 109.832 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -33.22 74.41 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.771 -0.581 . . . . 0.0 111.06 -178.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.9 m -72.48 -49.31 33.99 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.164 -0.96 . . . . 0.0 109.329 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.625 ' HB3' HD21 ' A' ' 15' ' ' LEU . 40.9 t80 -65.87 -31.53 72.53 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.589 -0.694 . . . . 0.0 109.483 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 39.0 m -71.81 -40.96 68.81 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.543 HD22 ' OE1' ' A' ' 40' ' ' GLN . 20.7 mt -61.17 -43.36 99.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 121.215 0.531 . . . . 0.0 109.94 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.617 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.7 m -65.74 -37.72 87.17 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.703 -0.623 . . . . 0.0 110.082 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.769 HG21 ' HB3' ' A' ' 11' ' ' SER . 66.8 p -92.13 1.82 56.97 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.439 -0.788 . . . . 0.0 110.272 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 152' ' ' SER . 47.5 t30 -81.49 1.55 32.88 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 121.258 -0.901 . . . . 0.0 111.099 -178.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 43' ' ' PHE . 4.2 mm? -54.57 -33.42 60.23 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.667 -1.271 . . . . 0.0 111.041 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.458 ' HG3' ' CD ' ' A' ' 49' ' ' LYS . 60.8 mt-30 -70.71 -57.58 4.53 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.175 -0.953 . . . . 0.0 110.661 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -74.75 -24.35 58.69 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.245 -0.909 . . . . 0.0 110.495 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 37.9 t -139.86 94.76 2.8 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.46 -55.7 19.08 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.618 -0.676 . . . . 0.0 109.738 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -125.36 -57.52 1.48 Allowed 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.457 -0.777 . . . . 0.0 109.571 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 67.5 m -142.16 71.43 1.35 Allowed 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.444 -0.785 . . . . 0.0 109.424 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' A' ' 164' ' ' LYS . 22.9 tptm -147.35 68.09 1.14 Allowed 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.299 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 121.542 0.686 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -99.77 71.01 1.66 Allowed 'General case' 0 C--O 1.219 -0.513 0 O-C-N 121.786 -0.572 . . . . 0.0 109.94 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.549 ' HB2' ' CD ' ' A' ' 4' ' ' PRO . 10.7 mp -74.74 -66.58 0.44 Allowed Pre-proline 0 C--O 1.217 -0.623 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 3' ' ' LEU . 44.9 Cg_endo -70.47 169.36 19.99 Favored 'Trans proline' 0 C--N 1.353 0.809 0 O-C-N 123.577 1.304 . . . . 0.0 109.982 175.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -99.02 62.03 1.27 Allowed 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.194 -0.941 . . . . 0.0 109.748 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -142.38 59.88 1.45 Allowed 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.43 -0.794 . . . . 0.0 109.189 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -127.42 -174.63 3.22 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.271 -0.893 . . . . 0.0 109.72 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -77.03 174.97 10.04 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.354 -0.841 . . . . 0.0 109.892 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -126.78 79.76 1.89 Allowed 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.494 -0.753 . . . . 0.0 109.073 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.0 -37.06 30.15 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 155' ' ' THR . 35.0 p -58.98 -51.13 71.38 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.216 -1.167 . . . . 0.0 110.501 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -63.9 -36.78 85.06 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.409 -0.807 . . . . 0.0 109.367 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -67.78 -35.35 78.51 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.561 -0.712 . . . . 0.0 109.284 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.5 m -62.24 -44.39 96.67 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.581 -0.7 . . . . 0.0 109.204 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 151' ' ' PHE . 95.7 mt -68.45 -32.93 73.3 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.583 -0.698 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.6 ttp -64.89 -38.32 90.57 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.302 -0.874 . . . . 0.0 108.876 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 84' ' ' PHE . 79.9 mt -63.33 -40.84 98.42 Favored 'General case' 0 C--O 1.212 -0.868 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 15' ' ' LEU . 48.6 mt -61.18 -36.25 79.33 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.758 -0.589 . . . . 0.0 109.626 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.02 90.97 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.5 -0.75 . . . . 0.0 109.572 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -71.09 -30.33 66.41 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.293 -0.879 . . . . 0.0 109.601 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.466 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 34.9 mtp -68.23 -27.28 66.22 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.534 -0.729 . . . . 0.0 110.041 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -49.22 126.4 12.75 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.455 -0.778 . . . . 0.0 109.519 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 76' ' ' TRP . 17.3 mtpt -112.64 -27.13 8.31 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.794 -0.566 . . . . 0.0 109.676 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.801 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pt -128.73 170.34 18.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 O-C-N 121.447 -0.783 . . . . 0.0 109.952 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m -84.09 137.64 33.46 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 30' ' ' LEU . 53.9 tp -60.74 -39.86 90.28 Favored 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.766 ' HA ' HD13 ' A' ' 30' ' ' LEU . 83.1 m-85 -60.81 -40.13 91.55 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -59.83 -30.58 69.04 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.801 ' SG ' HD12 ' A' ' 24' ' ' ILE . 63.0 m -102.53 50.6 0.82 Allowed 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.648 -0.658 . . . . 0.0 109.6 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.766 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -88.64 10.88 19.07 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.332 -0.855 . . . . 0.0 109.719 178.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -97.23 -25.38 15.3 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.299 -0.876 . . . . 0.0 109.395 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.578 ' O ' HG21 ' A' ' 142' ' ' VAL . 4.2 m-20 -116.32 23.32 12.19 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.423 -0.798 . . . . 0.0 109.896 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -86.36 123.57 31.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.008 -1.057 . . . . 0.0 109.292 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -144.71 132.38 21.07 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.76 114.2 7.73 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.503 -0.748 . . . . 0.0 109.157 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.65 ' HE1' ' HB2' ' A' ' 129' ' ' TYR . 60.4 m-85 -69.38 -51.94 31.9 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.119 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.59 67.71 0.54 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 54.1 t80 -72.28 133.18 83.49 Favored Pre-proline 0 C--O 1.216 -0.664 0 O-C-N 121.633 -0.922 . . . . 0.0 109.195 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 53.5 Cg_endo -79.83 81.07 2.87 Favored 'Trans proline' 0 C--N 1.352 0.73 0 O-C-N 123.722 1.38 . . . . 0.0 110.89 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 5.4 tm0? -88.4 -17.91 29.48 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.242 -0.911 . . . . 0.0 109.49 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.66 -32.39 69.05 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -94.22 26.74 3.17 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.351 -0.843 . . . . 0.0 109.271 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 8.1 m-85 -131.7 12.57 4.87 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.275 -0.89 . . . . 0.0 109.772 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.671 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -106.29 -94.86 2.37 Favored Glycine 0 C--O 1.217 -0.947 0 O-C-N 120.747 -1.22 . . . . 0.0 110.386 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -65.77 134.4 53.06 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.902 -0.763 . . . . 0.0 109.804 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 65.49 28.21 11.54 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 59.4 m-85 -149.59 46.67 0.95 Allowed 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.318 -0.864 . . . . 0.0 109.725 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.987 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.5 pt20 -157.92 151.94 24.2 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 120.951 -1.093 . . . . 0.0 110.648 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt 59.23 85.47 0.1 Allowed 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.79 -0.569 . . . . 0.0 110.051 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 56.54 57.54 4.77 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.61 -0.681 . . . . 0.0 109.714 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -148.73 -51.35 0.16 Allowed 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.451 -0.781 . . . . 0.0 109.54 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.522 ' CG2' ' HB3' ' A' ' 47' ' ' PHE . 2.9 p -90.73 10.23 26.76 Favored 'General case' 0 C--O 1.208 -1.127 0 O-C-N 121.83 -0.544 . . . . 0.0 110.274 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.771 HG23 HD23 ' A' ' 95' ' ' LEU . 37.6 mt -54.36 -41.98 91.82 Favored Pre-proline 0 C--O 1.214 -0.787 0 O-C-N 120.933 -1.104 . . . . 0.0 110.685 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.2 Cg_endo -68.9 -37.25 11.72 Favored 'Trans proline' 0 C--N 1.356 0.958 0 O-C-N 123.06 1.032 . . . . 0.0 110.301 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.798 ' HA ' HG12 ' A' ' 116' ' ' ILE . 41.3 t -68.77 -47.14 77.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.617 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 67.3 mt -60.24 -35.05 74.6 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' HD23 ' A' ' 92' ' ' LEU . 60.5 t-80 -60.53 -47.97 83.84 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.64 -0.663 . . . . 0.0 109.393 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.613 ' HG2' ' CG2' ' A' ' 116' ' ' ILE . 5.4 tp10 -69.35 -30.66 68.73 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.268 -0.895 . . . . 0.0 109.486 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 ttm -64.5 -39.9 94.64 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.369 -0.832 . . . . 0.0 108.899 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.648 HG21 ' HG ' ' A' ' 92' ' ' LEU . 9.6 mm -65.68 -36.15 76.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.36 -33.88 71.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.505 -0.747 . . . . 0.0 109.619 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.39 -40.28 74.04 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.351 -0.843 . . . . 0.0 109.328 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.606 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.2 mt -75.89 -25.18 17.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.696 ' HA ' HD13 ' A' ' 88' ' ' LEU . 56.6 t80 -68.94 -43.43 75.09 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 121.275 -0.891 . . . . 0.0 109.537 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.676 ' O ' HG23 ' A' ' 69' ' ' THR . 6.5 m120 -81.52 -35.1 30.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.482 -0.761 . . . . 0.0 109.645 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 130' ' ' LEU . 49.2 tp -60.3 -32.43 71.2 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.485 -0.759 . . . . 0.0 109.355 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.606 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.9 m-85 -96.76 -27.58 14.67 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.527 -0.733 . . . . 0.0 110.017 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.7 t -70.0 -22.95 63.07 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.296 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 65' ' ' ASN . 25.3 p -53.47 147.63 10.5 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.315 -0.866 . . . . 0.0 109.922 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -60.55 -23.54 64.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.564 -0.71 . . . . 0.0 109.99 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 46.0 m-20 -72.52 -43.79 63.08 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 109.456 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.515 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 9.5 t -79.8 -30.37 40.56 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.351 -0.843 . . . . 0.0 109.616 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.565 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 32.7 t -65.35 -37.19 86.29 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.585 -0.697 . . . . 0.0 109.285 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -24.26 32.09 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.08 67.83 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 23' ' ' LYS . 73.7 m95 -121.21 170.62 9.4 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.525 -0.735 . . . . 0.0 109.931 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -65.63 133.15 50.54 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.63 -28.98 69.98 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.5 -0.75 . . . . 0.0 110.508 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -78.24 -43.78 27.37 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.048 -1.033 . . . . 0.0 109.063 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 80' ' ' LEU . 61.2 mt -62.87 -36.66 84.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.565 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.94 -34.04 68.71 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.21 -50.92 69.88 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.22 -35.49 81.22 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.865 ' HA ' HD13 ' A' ' 17' ' ' LEU . 26.0 t80 -61.57 -31.67 71.72 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.664 -0.647 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -76.21 -32.99 59.26 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.5 m -69.35 -36.02 76.46 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.535 -0.728 . . . . 0.0 109.493 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' OE1' HD11 ' A' ' 17' ' ' LEU . 1.2 mp0 -76.91 -28.1 55.16 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.323 -0.861 . . . . 0.0 109.368 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 64' ' ' PHE . 65.1 mt -73.09 -40.11 65.28 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.454 -0.779 . . . . 0.0 109.296 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.82 -32.97 52.55 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 179.502 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.29 -46.01 74.87 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 45.1 tp60 -68.18 -26.56 65.81 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.648 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.8 mt -72.7 -35.52 67.65 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.354 -0.841 . . . . 0.0 109.848 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.64 -39.97 56.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.256 -0.903 . . . . 0.0 109.0 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -66.04 -39.18 89.94 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.771 HD23 HG23 ' A' ' 53' ' ' ILE . 43.5 mt -68.59 -40.44 80.47 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.551 ' O ' HG12 ' A' ' 100' ' ' ILE . 86.0 tt0 -67.95 -28.53 67.54 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 121.502 -0.749 . . . . 0.0 110.02 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.34 -49.13 45.54 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.632 -0.667 . . . . 0.0 110.707 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.528 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 2.4 m -59.45 -45.44 91.58 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.235 -0.915 . . . . 0.0 108.582 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.5 t -61.4 -30.69 48.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 O-C-N 121.856 -0.527 . . . . 0.0 110.161 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 96' ' ' GLU . 42.6 mm -66.58 -57.07 11.6 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 O-C-N 121.061 -1.024 . . . . 0.0 108.806 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -82.25 -173.92 4.82 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.576 -0.703 . . . . 0.0 109.696 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.69 -35.48 40.49 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 3' ' ' LEU . 14.3 m -53.55 145.84 3.38 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.869 0 O-C-N 121.597 -0.943 . . . . 0.0 109.947 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.528 ' HA3' ' HB3' ' A' ' 98' ' ' CYS . . . 120.07 -63.83 0.46 Allowed Glycine 0 C--O 1.216 -1.007 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.455 HG11 ' HG3' ' A' ' 54' ' ' PRO . 12.9 m -145.03 86.97 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 O-C-N 121.643 -0.916 . . . . 0.0 109.869 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 106' ' ' THR . 89.5 m -122.36 3.6 9.72 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.873 0.844 . . . . 0.0 110.056 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -130.81 -26.39 2.21 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 121.85 -0.531 . . . . 0.0 109.916 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.6 p -78.55 138.07 58.96 Favored Pre-proline 0 C--O 1.216 -0.661 0 O-C-N 121.162 -0.962 . . . . 0.0 109.813 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.518 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 43.6 Cg_endo -73.47 174.25 12.48 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 O-C-N 124.251 1.658 . . . . 0.0 110.665 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.512 ' H ' HD22 ' A' ' 110' ' ' LEU . 2.9 mm? -55.57 -9.2 0.46 Allowed 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.633 -0.667 . . . . 0.0 111.258 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.518 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 18.7 ptm -50.86 -23.62 2.94 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.129 -0.982 . . . . 0.0 110.819 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -53.67 -32.04 50.09 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.449 -0.782 . . . . 0.0 110.199 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.39 -37.08 84.45 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.342 -0.849 . . . . 0.0 109.577 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -62.54 -32.92 73.95 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.422 -0.798 . . . . 0.0 109.66 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.511 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 32.6 t -64.1 -41.22 97.35 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.798 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.9 mt -66.8 -36.62 77.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.56 HD23 ' HD2' ' A' ' 120' ' ' ARG . 28.0 mt -62.55 -35.37 79.23 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.85 -0.531 . . . . 0.0 109.629 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -66.75 -43.31 84.49 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 82.2 t -67.74 -27.91 39.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 O-C-N 121.669 -0.644 . . . . 0.0 109.547 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.56 ' HD2' HD23 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.31 -37.24 77.66 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.011 -1.056 . . . . 0.0 109.198 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -72.36 -32.99 66.93 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.359 -0.838 . . . . 0.0 108.935 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.771 ' CE2' HD11 ' A' ' 126' ' ' ILE . 72.0 t80 -64.25 -50.07 69.41 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.584 -0.698 . . . . 0.0 109.275 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -69.04 -26.6 65.06 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.743 -0.598 . . . . 0.0 110.534 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.24 95.27 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 2.8 tpt85 -65.99 -39.04 89.98 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.771 HD11 ' CE2' ' A' ' 122' ' ' TYR . 66.6 mt -61.05 -37.18 76.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 O-C-N 121.551 -0.718 . . . . 0.0 109.369 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.1 m -68.55 -38.41 80.76 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.543 -0.723 . . . . 0.0 109.7 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.3 tt -67.66 -38.24 83.52 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.346 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.65 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.5 t80 -62.77 -37.44 86.67 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.555 -0.716 . . . . 0.0 109.291 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 66' ' ' LEU . 60.7 mt -67.14 -41.52 85.94 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.31 -24.79 63.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.874 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -47.8 45.25 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.345 -0.847 . . . . 0.0 109.408 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.57 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.3 mptt -83.41 4.48 27.35 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 58.84 39.54 23.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.418 -0.801 . . . . 0.0 109.669 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.9 m-85 60.6 52.8 4.35 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.541 -0.724 . . . . 0.0 109.586 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.452 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 37.2 t -78.48 151.4 77.56 Favored Pre-proline 0 C--O 1.215 -0.737 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.452 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.3 Cg_endo -63.49 -31.5 71.54 Favored 'Trans proline' 0 C--N 1.353 0.798 0 O-C-N 123.648 1.341 . . . . 0.0 111.052 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.88 -40.69 54.04 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.264 -0.898 . . . . 0.0 108.863 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.57 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.55 -36.25 82.04 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.515 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 19.9 m95 -71.28 -34.99 71.16 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.633 -0.667 . . . . 0.0 109.5 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.82 -37.12 86.55 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.1 t -68.53 -42.95 83.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 147' ' ' ILE . 96.1 t -69.99 -22.76 24.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 121.767 -0.583 . . . . 0.0 109.596 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.416 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 30.0 ttp85 -71.28 -47.81 54.67 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 120.993 -1.067 . . . . 0.0 108.717 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.01 72.67 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.57 -33.76 66.99 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.603 -0.685 . . . . 0.0 109.749 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 143' ' ' VAL . 12.0 mm -72.1 -37.88 61.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.552 ' HE2' ' HB2' ' A' ' 18' ' ' LEU . 36.5 ttm -65.02 -34.72 79.12 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' A' ' 149' ' ' ARG . 20.7 tpp180 -70.84 -57.5 4.55 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 121.776 -0.577 . . . . 0.0 109.976 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.518 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 19.9 p -57.86 -38.69 76.16 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.958 -0.464 . . . . 0.0 109.994 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.855 ' HB3' HD21 ' A' ' 15' ' ' LEU . 35.7 t80 -71.52 -39.38 70.79 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.411 -0.806 . . . . 0.0 109.575 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.591 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 21.8 t -68.48 -28.81 67.36 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 121.624 -0.672 . . . . 0.0 109.385 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.526 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 38.4 mt -71.97 -45.86 59.5 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.643 -0.661 . . . . 0.0 109.372 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.617 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.1 m -66.5 -40.09 89.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.798 -0.564 . . . . 0.0 110.272 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.521 HG21 ' CE2' ' A' ' 151' ' ' PHE . 74.6 p -86.65 -10.09 54.57 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.525 -0.734 . . . . 0.0 110.98 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.7 t-20 -65.89 -23.44 66.64 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 120.866 -1.146 . . . . 0.0 109.32 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.987 HD12 ' HB3' ' A' ' 48' ' ' GLN . 4.3 mm? -54.14 -30.87 50.7 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.513 -0.742 . . . . 0.0 110.194 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -56.68 -45.08 81.93 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.513 ' O ' ' C ' ' A' ' 160' ' ' SER . 38.0 tt0 -83.52 -66.84 0.84 Allowed 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.513 ' C ' ' O ' ' A' ' 159' ' ' GLU . 58.3 m 1.11 79.06 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.112 0.965 . . . . 0.0 112.249 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -68.49 121.71 16.93 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -58.42 -34.07 70.37 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.53 -0.732 . . . . 0.0 109.784 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.9 t -74.05 93.28 2.24 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.368 -0.833 . . . . 0.0 108.884 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -108.97 44.02 1.19 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.542 -0.724 . . . . 0.0 109.347 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.851 -1.071 . . . . 0.0 109.317 179.684 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.538 0.685 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -139.09 76.16 1.55 Allowed 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.617 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 1.2 mt -71.29 -52.79 8.61 Favored Pre-proline 0 C--O 1.215 -0.718 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.617 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.2 Cg_endo -81.81 121.75 3.74 Favored 'Trans proline' 0 C--N 1.352 0.759 0 O-C-N 124.048 1.551 . . . . 0.0 109.979 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -116.15 78.57 1.2 Allowed 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.411 -0.806 . . . . 0.0 109.958 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -89.73 -60.19 2.0 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.291 -0.881 . . . . 0.0 109.174 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -121.82 -179.41 4.11 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.452 -0.78 . . . . 0.0 109.293 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.7 t -173.04 139.17 0.8 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.467 -0.771 . . . . 0.0 109.474 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.84 39.02 0.27 Allowed 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.501 -0.749 . . . . 0.0 109.857 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.36 -61.39 0.6 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 155' ' ' THR . 45.5 p -63.66 -36.71 84.72 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.796 -0.826 . . . . 0.0 109.392 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -69.62 -38.14 77.12 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.614 -0.679 . . . . 0.0 109.462 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.589 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 15.8 ttt85 -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.394 -0.816 . . . . 0.0 109.469 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.9 m -68.75 -40.0 80.02 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.062 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD21 ' HB3' ' A' ' 151' ' ' PHE . 31.3 mt -70.65 -40.99 72.7 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.777 -0.577 . . . . 0.0 110.178 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.589 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.5 ptm -63.78 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.109 -0.994 . . . . 0.0 109.074 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.908 HD13 ' HA ' ' A' ' 84' ' ' PHE . 65.6 mt -63.27 -46.38 87.08 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -57.46 -34.89 69.48 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.782 -0.574 . . . . 0.0 109.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.54 72.98 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.473 -0.767 . . . . 0.0 109.686 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.31 -33.41 75.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.431 -0.793 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.419 ' HG3' ' HB3' ' A' ' 80' ' ' LEU . 7.7 mtp -67.03 -29.98 69.94 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.405 -0.809 . . . . 0.0 109.747 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -52.2 109.93 0.43 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.609 -0.682 . . . . 0.0 109.694 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -98.69 -35.6 10.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.57 -0.706 . . . . 0.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.2 pt -106.1 172.44 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 O-C-N 121.602 -0.686 . . . . 0.0 109.347 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.0 147.86 24.08 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.56 -32.92 74.78 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.24 -39.41 86.17 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -64.04 -27.28 69.0 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.528 -0.732 . . . . 0.0 109.15 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.866 ' SG ' HD12 ' A' ' 24' ' ' ILE . 20.1 m -113.76 54.34 0.75 Allowed 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.564 -0.71 . . . . 0.0 110.123 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.7 mt -84.03 3.02 36.38 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 120.909 -1.119 . . . . 0.0 110.075 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -80.28 -28.47 38.32 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 109.125 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.797 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.6 m-20 -105.29 16.0 26.39 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.699 -0.626 . . . . 0.0 110.111 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 109.01 2.06 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.566 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -148.44 124.1 10.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.696 -0.628 . . . . 0.0 109.383 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -81.6 127.68 33.13 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.476 -0.765 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.636 ' CD2' HG12 ' A' ' 126' ' ' ILE . 20.6 m-30 -82.58 -49.58 9.71 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.47 -0.768 . . . . 0.0 109.376 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.84 71.7 0.45 Allowed Glycine 0 CA--C 1.535 1.295 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.2 t80 -65.7 130.17 94.48 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.499 -1.001 . . . . 0.0 109.035 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.2 Cg_endo -75.7 73.4 4.72 Favored 'Trans proline' 0 C--N 1.352 0.762 0 O-C-N 123.775 1.408 . . . . 0.0 110.954 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.655 ' CD ' HD22 ' A' ' 153' ' ' LEU . 36.6 tt0 -79.69 -18.94 50.12 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.348 -0.845 . . . . 0.0 109.402 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.97 -29.06 66.9 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.02 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.2 tp10 -93.84 20.11 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.474 -0.766 . . . . 0.0 109.326 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.656 ' O ' HD21 ' A' ' 157' ' ' LEU . 28.6 m-85 -135.48 17.96 3.36 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.355 -0.841 . . . . 0.0 109.692 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.04 -96.96 2.2 Favored Glycine 0 C--O 1.217 -0.954 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -74.56 150.77 39.6 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.8 -0.824 . . . . 0.0 109.236 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 66.87 16.6 10.4 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.624 -0.673 . . . . 0.0 109.23 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.5 ' HB3' ' OG1' ' A' ' 52' ' ' THR . 73.5 m-85 -146.02 67.28 1.2 Allowed 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -158.33 166.19 32.9 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.262 -0.899 . . . . 0.0 109.714 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 63.82 57.13 1.4 Allowed 'General case' 0 C--O 1.219 -0.539 0 O-C-N 121.535 -0.728 . . . . 0.0 109.41 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 60.62 58.24 2.51 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.49 -0.756 . . . . 0.0 109.818 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 77.9 mm-40 -130.79 -42.16 1.14 Allowed 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.323 -0.861 . . . . 0.0 110.124 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.635 HG22 ' HB ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -81.95 0.74 38.6 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.802 -0.561 . . . . 0.0 110.03 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.824 HD13 ' SG ' ' A' ' 98' ' ' CYS . 70.6 mt -49.69 -46.71 79.82 Favored Pre-proline 0 C--O 1.212 -0.901 0 O-C-N 121.425 -0.797 . . . . 0.0 111.814 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.06 -35.86 40.42 Favored 'Trans proline' 0 C--N 1.354 0.834 0 O-C-N 123.141 1.074 . . . . 0.0 110.788 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HB ' HG22 ' A' ' 52' ' ' THR . 8.0 t -68.98 -39.99 80.41 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.566 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 39.1 mt -65.78 -35.64 81.28 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CD2' HD23 ' A' ' 92' ' ' LEU . 59.7 t-80 -60.04 -48.84 80.03 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.637 -0.664 . . . . 0.0 109.329 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.912 ' HG3' HD13 ' A' ' 116' ' ' ILE . 10.8 mm-40 -70.79 -24.2 62.53 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 119.344 -0.942 . . . . 0.0 109.321 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.2 -36.77 80.07 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.678 HG21 ' O ' ' A' ' 88' ' ' LEU . 12.6 mm -75.74 -28.01 19.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 O-C-N 121.411 -0.805 . . . . 0.0 109.241 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.79 -36.78 67.67 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.256 -0.902 . . . . 0.0 108.9 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' OE1' HG12 ' A' ' 119' ' ' VAL . 84.3 mt-30 -74.18 -38.92 63.52 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.497 -0.752 . . . . 0.0 110.256 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.9 mt -72.84 -36.02 51.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 121.181 -0.95 . . . . 0.0 108.518 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.688 ' HA ' HD13 ' A' ' 88' ' ' LEU . 41.7 t80 -59.84 -42.81 94.41 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.498 -0.751 . . . . 0.0 109.798 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.653 ' O ' HG23 ' A' ' 69' ' ' THR . 20.3 t-20 -80.19 -39.36 29.37 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.468 -0.77 . . . . 0.0 110.117 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 130' ' ' LEU . 29.8 tp -58.64 -32.04 68.69 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.33 -0.857 . . . . 0.0 109.487 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.9 m-85 -93.82 -31.95 14.16 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.455 -0.778 . . . . 0.0 109.753 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 25.0 t -65.61 -25.31 67.33 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 65' ' ' ASN . 40.5 p -54.19 146.02 16.07 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.213 -0.929 . . . . 0.0 109.544 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.11 -22.27 65.68 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.469 -0.77 . . . . 0.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 52.3 m-20 -68.92 -45.71 70.14 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 22.5 t -77.95 -29.95 50.12 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.577 -0.702 . . . . 0.0 109.475 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.558 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.7 m -65.48 -36.55 84.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.505 -0.747 . . . . 0.0 109.388 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.49 -26.44 30.22 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.23 72.4 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.588 -0.695 . . . . 0.0 109.967 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.48 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 73.8 m95 -118.84 178.15 4.59 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.589 -0.694 . . . . 0.0 109.529 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.84 135.9 43.44 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -66.25 -29.88 70.2 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.448 -0.782 . . . . 0.0 110.565 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -77.54 -45.56 25.03 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.164 -0.96 . . . . 0.0 108.9 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 96.6 mt -62.65 -35.89 81.08 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.9 mt -72.58 -33.67 66.9 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.41 -51.66 67.53 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.09 -35.36 80.51 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.908 ' HA ' HD13 ' A' ' 17' ' ' LEU . 45.5 t80 -62.1 -35.81 79.84 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.669 -0.645 . . . . 0.0 109.761 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.446 ' HA ' HD12 ' A' ' 88' ' ' LEU . 21.6 m-85 -72.62 -37.07 68.17 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.228 -0.92 . . . . 0.0 109.336 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.3 m -64.93 -42.6 94.52 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.568 -0.708 . . . . 0.0 109.562 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.53 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 58.3 mm-40 -68.65 -30.76 69.54 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.37 -0.831 . . . . 0.0 109.366 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' ' 64' ' ' PHE . 36.0 mt -66.89 -45.59 77.56 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.603 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.4 t80 -73.88 -31.69 63.26 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -66.39 -46.85 75.26 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.144 -0.972 . . . . 0.0 108.727 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.44 -30.5 71.53 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.51 ' HG ' HG21 ' A' ' 60' ' ' ILE . 11.2 mt -69.51 -33.75 73.28 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.773 -0.579 . . . . 0.0 109.86 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -69.44 -44.17 71.84 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.276 -0.89 . . . . 0.0 109.313 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.46 -42.51 87.47 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.604 -0.685 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.807 HD23 HG23 ' A' ' 53' ' ' ILE . 81.1 mt -63.05 -36.59 84.09 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.802 -0.561 . . . . 0.0 109.755 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.478 ' O ' HG12 ' A' ' 100' ' ' ILE . 86.9 tt0 -71.21 -39.17 71.91 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.496 -0.753 . . . . 0.0 109.716 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.98 -44.81 67.46 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.739 -0.6 . . . . 0.0 109.542 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.824 ' SG ' HD13 ' A' ' 53' ' ' ILE . 62.4 m -58.44 -47.76 82.92 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.63 -32.37 53.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 O-C-N 122.075 -0.391 . . . . 0.0 110.63 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 96' ' ' GLU . 42.1 mm -57.06 -53.36 44.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 O-C-N 121.17 -0.956 . . . . 0.0 108.974 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.437 ' HB2' HG22 ' A' ' 103' ' ' VAL . 15.4 mp0 -81.29 -179.41 7.35 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.641 -0.662 . . . . 0.0 109.304 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.96 -26.09 73.24 Favored Glycine 0 CA--C 1.536 1.385 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 101' ' ' GLN . 19.3 m -62.06 173.01 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 121.451 -1.029 . . . . 0.0 110.11 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.794 ' HA2' HD12 ' A' ' 53' ' ' ILE . . . 79.8 -78.09 1.82 Allowed Glycine 0 C--O 1.216 -0.992 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.417 HG12 ' HG3' ' A' ' 54' ' ' PRO . 23.3 m -92.82 173.51 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 121.66 -0.906 . . . . 0.0 109.548 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.9 p -106.95 173.5 6.3 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 121.376 -0.827 . . . . 0.0 109.603 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -58.09 -42.17 85.06 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 108' ' ' THR . 3.6 t -119.28 87.06 34.5 Favored Pre-proline 0 C--O 1.218 -0.602 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.607 ' HB2' ' HE2' ' A' ' 112' ' ' LYS . 38.0 Cg_endo -69.67 99.31 0.73 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 O-C-N 123.761 1.401 . . . . 0.0 111.8 -177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.9 mt -121.98 -46.38 2.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.537 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -60.34 -25.97 66.23 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 122.064 -0.397 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.607 ' HE2' ' HB2' ' A' ' 109' ' ' PRO . 33.7 pttt -80.98 -25.32 37.38 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.031 -1.043 . . . . 0.0 110.394 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -70.95 -51.12 27.72 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.217 -0.927 . . . . 0.0 109.971 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -63.2 -26.63 68.89 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.212 -0.93 . . . . 0.0 109.486 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.622 ' HB3' HG11 ' A' ' 55' ' ' VAL . 68.9 m -69.32 -48.27 62.01 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.912 HD13 ' HG3' ' A' ' 58' ' ' GLU . 80.2 mt -68.61 -31.89 52.89 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 O-C-N 121.56 -0.712 . . . . 0.0 109.282 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 117' ' ' LEU . 21.1 mt -68.97 -34.77 75.87 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.599 -0.688 . . . . 0.0 109.305 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.48 -44.35 78.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 115' ' ' SER . 45.9 t -67.44 -26.02 34.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -70.96 -43.94 67.09 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.246 -0.909 . . . . 0.0 109.661 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.63 -30.28 67.97 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.406 -0.809 . . . . 0.0 108.918 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 88.8 t80 -65.59 -51.16 61.79 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.65 -28.15 66.63 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.762 -0.587 . . . . 0.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -64.77 -40.5 95.37 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 tpt85 -66.62 -33.58 75.98 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.636 HG12 ' CD2' ' A' ' 36' ' ' PHE . 40.9 mt -67.93 -36.86 77.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 121.523 -0.736 . . . . 0.0 109.178 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.3 m -65.4 -43.64 89.98 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.459 -0.776 . . . . 0.0 109.354 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 128' ' ' LEU . 31.6 mt -72.12 -31.63 66.2 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.496 -0.753 . . . . 0.0 109.718 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -63.6 -43.66 96.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' A' ' 140' ' ' TRP . 36.7 mt -65.49 -44.22 87.75 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -67.57 -29.12 68.4 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.394 -0.816 . . . . 0.0 109.847 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.51 -46.24 67.01 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.482 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.562 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.3 mptt -83.83 5.04 26.57 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.708 -0.62 . . . . 0.0 109.856 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp 60.73 38.82 18.03 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.515 -0.74 . . . . 0.0 110.171 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 44.0 m-85 57.78 50.15 11.09 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.569 -0.707 . . . . 0.0 109.862 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.401 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 33.5 t -76.9 149.73 80.56 Favored Pre-proline 0 C--O 1.216 -0.703 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.502 ' O ' HD11 ' A' ' 24' ' ' ILE . 37.0 Cg_endo -64.99 -32.45 53.95 Favored 'Trans proline' 0 C--N 1.353 0.772 0 O-C-N 123.628 1.331 . . . . 0.0 110.603 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.0 m -70.99 -40.82 71.66 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.52 94.94 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.558 ' CE2' HD22 ' A' ' 130' ' ' LEU . 21.2 m95 -64.44 -34.52 78.39 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 121.684 -0.635 . . . . 0.0 109.821 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.41 -43.28 97.96 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.274 -0.891 . . . . 0.0 108.985 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.797 HG21 ' O ' ' A' ' 32' ' ' ASP . 51.0 t -62.59 -42.15 94.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 121.788 -0.57 . . . . 0.0 109.551 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 147' ' ' ILE . 60.4 t -73.55 -25.31 20.81 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.939 0 O-C-N 121.584 -0.698 . . . . 0.0 110.313 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.652 ' HG3' ' N ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -68.97 -49.38 58.44 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.024 -1.047 . . . . 0.0 108.416 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.652 ' N ' ' HG3' ' A' ' 144' ' ' ARG . . . -63.22 -37.24 86.44 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 142' ' ' VAL . 48.7 mt-10 -68.98 -31.71 70.76 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.802 -0.561 . . . . 0.0 110.094 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.1 mm -76.39 -30.79 19.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 121.308 -0.87 . . . . 0.0 109.289 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 32.8 ttm -73.89 -36.72 64.81 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -73.22 -42.54 62.49 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.554 -0.716 . . . . 0.0 109.322 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 73.7 m -66.2 -35.74 81.23 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.607 -0.683 . . . . 0.0 109.545 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.878 ' HB3' HD21 ' A' ' 15' ' ' LEU . 20.6 t80 -72.69 -42.72 63.92 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.45 -0.781 . . . . 0.0 109.39 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 76.0 p -64.96 -33.35 75.83 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.655 HD22 ' CD ' ' A' ' 40' ' ' GLN . 70.5 mt -69.12 -42.5 75.99 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.668 -0.645 . . . . 0.0 109.496 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.566 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 16.8 p -64.67 -35.18 80.2 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.699 -0.626 . . . . 0.0 110.023 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.702 HG21 ' CE1' ' A' ' 151' ' ' PHE . 25.4 p -100.34 1.42 41.52 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.759 -0.588 . . . . 0.0 110.909 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 152' ' ' SER . 13.9 t-20 -66.12 -15.12 62.83 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.101 -0.999 . . . . 0.0 109.722 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.656 HD21 ' O ' ' A' ' 43' ' ' PHE . 3.8 mm? -61.76 -24.36 66.78 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.237 -0.914 . . . . 0.0 109.826 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.475 ' HG2' ' HG3' ' A' ' 159' ' ' GLU . 40.4 tt0 -47.94 -59.67 3.17 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.573 -0.704 . . . . 0.0 109.918 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.475 ' HG3' ' HG2' ' A' ' 158' ' ' GLN . 49.0 mt-10 -151.35 115.87 5.12 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.8 t -141.11 77.76 1.61 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.349 0.595 . . . . 0.0 109.688 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 161' ' ' LEU . 7.3 mp -87.14 -17.65 32.27 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.355 -0.84 . . . . 0.0 109.866 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -114.22 64.73 0.66 Allowed 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.283 -0.885 . . . . 0.0 108.731 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.7 t -89.81 126.4 35.67 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.432 -0.792 . . . . 0.0 109.456 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -109.04 56.96 0.61 Allowed 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.472 -0.768 . . . . 0.0 109.04 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.361 -179.665 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.513 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 5.0 p . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.265 0.555 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.608 ' C ' HD23 ' A' ' 3' ' ' LEU . 44.6 p-10 -102.29 65.21 0.94 Allowed 'General case' 0 C--O 1.219 -0.55 0 O-C-N 121.462 -0.774 . . . . 0.0 110.136 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.781 HD21 HG21 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -126.75 -64.52 0.02 OUTLIER Pre-proline 0 C--O 1.216 -0.686 0 O-C-N 121.418 -0.801 . . . . 0.0 109.346 178.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.644 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.8 Cg_endo -72.1 102.78 1.39 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 O-C-N 123.481 1.253 . . . . 0.0 110.459 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -113.16 68.22 0.67 Allowed 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.4 p -144.9 -63.78 0.35 Allowed 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.41 -0.806 . . . . 0.0 109.585 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.22 162.18 29.52 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.368 -0.833 . . . . 0.0 109.359 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t -138.32 22.01 2.76 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.468 -0.77 . . . . 0.0 109.806 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -103.0 77.22 1.54 Allowed 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.436 -0.79 . . . . 0.0 109.392 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.37 -52.91 0.58 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.524 ' HB2' HG21 ' A' ' 155' ' ' THR . 72.6 p -67.77 -32.32 72.83 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.635 -0.92 . . . . 0.0 110.021 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -65.91 -38.63 89.19 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -71.54 -37.89 71.09 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.343 -0.848 . . . . 0.0 109.476 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -61.76 -46.07 91.19 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.447 -0.783 . . . . 0.0 109.276 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 151' ' ' PHE . 85.2 mt -70.4 -31.97 69.4 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.615 -0.678 . . . . 0.0 109.654 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.6 ttp -63.87 -37.3 86.88 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.254 -0.903 . . . . 0.0 108.652 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.856 HD13 ' HA ' ' A' ' 84' ' ' PHE . 94.7 mt -63.63 -43.37 96.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 15' ' ' LEU . 54.5 mt -58.15 -40.37 81.18 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.83 -0.544 . . . . 0.0 109.576 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.76 96.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.668 -0.645 . . . . 0.0 109.793 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.47 -30.17 69.8 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 18' ' ' LEU . 26.5 mtp -68.23 -28.04 66.89 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB2' ' NH1' ' A' ' 144' ' ' ARG . 37.5 ttm180 -56.27 115.28 2.38 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.356 -0.84 . . . . 0.0 109.668 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -100.9 -35.98 9.21 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.373 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.725 HD12 ' SG ' ' A' ' 29' ' ' CYS . 6.4 pt -104.5 170.39 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.461 -0.775 . . . . 0.0 109.867 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -89.96 134.38 34.26 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 30' ' ' LEU . 58.9 tp -58.74 -40.07 82.78 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.784 ' HA ' HD13 ' A' ' 30' ' ' LEU . 93.6 m-85 -58.67 -41.73 86.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -57.94 -31.95 67.33 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' A' ' 24' ' ' ILE . 80.1 m -101.34 50.68 0.85 Allowed 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.784 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -89.88 0.18 57.2 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -93.32 -25.18 17.85 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 109.09 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.689 ' O ' HG21 ' A' ' 142' ' ' VAL . 12.1 t70 -104.49 18.39 22.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.53 -0.731 . . . . 0.0 109.57 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -73.33 119.24 17.29 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.165 -0.959 . . . . 0.0 109.513 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.13 129.6 13.9 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.69 145.01 36.87 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.207 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.516 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 24.2 m-85 -94.97 -39.9 9.95 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.442 -0.786 . . . . 0.0 109.843 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.46 60.01 0.46 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.5 t80 -66.07 132.57 94.61 Favored Pre-proline 0 C--O 1.217 -0.641 0 O-C-N 121.637 -0.92 . . . . 0.0 109.053 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.61 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.3 Cg_endo -78.64 62.58 8.33 Favored 'Trans proline' 0 C--N 1.352 0.741 0 O-C-N 123.829 1.437 . . . . 0.0 111.376 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 4.2 tp60 -75.33 -26.8 58.91 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.14 -31.97 63.82 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -97.78 44.96 1.03 Allowed 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 1.7 m-85 -147.39 23.62 1.15 Allowed 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.535 -0.728 . . . . 0.0 109.352 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.99 -91.43 2.21 Favored Glycine 0 C--O 1.217 -0.949 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 13.5 p-10 -69.96 137.27 51.33 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.825 -0.809 . . . . 0.0 109.331 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 89.8 mm-40 73.36 18.55 3.67 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.956 -0.465 . . . . 0.0 109.766 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.959 ' CD2' HG21 ' A' ' 52' ' ' THR . 30.8 m-85 -132.7 42.08 3.12 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -71.62 -164.89 0.13 Allowed 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.306 -0.871 . . . . 0.0 109.552 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' O ' HD11 ' A' ' 53' ' ' ILE . 64.0 pttt -85.85 17.34 3.48 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.187 -0.946 . . . . 0.0 110.336 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' A' ' 53' ' ' ILE . . . -150.95 31.54 0.62 Allowed 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.1 -1.0 . . . . 0.0 109.495 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -134.37 -58.17 0.84 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.362 -0.836 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.959 HG21 ' CD2' ' A' ' 47' ' ' PHE . 25.5 p -103.47 38.83 1.71 Allowed 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.938 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.71 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 84.9 mt -64.19 -37.58 27.26 Favored Pre-proline 0 C--O 1.216 -0.702 0 O-C-N 121.488 -0.757 . . . . 0.0 109.819 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.71 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -64.85 -25.11 60.48 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.049 1.026 . . . . 0.0 110.178 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.773 ' HA ' HG12 ' A' ' 116' ' ' ILE . 13.5 t -71.07 -38.67 72.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 37.7 mt -68.93 -33.87 74.43 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.508 ' CE1' HD22 ' A' ' 92' ' ' LEU . 64.3 t-80 -65.35 -48.01 74.47 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.837 ' HG3' HD13 ' A' ' 116' ' ' ILE . 74.4 mm-40 -72.74 -27.18 61.88 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 ttt -66.53 -48.45 69.69 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.746 HG23 HD22 ' A' ' 88' ' ' LEU . 30.6 mt -69.18 -21.85 25.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -73.76 -35.67 65.02 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.73 -35.79 70.28 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.59 -0.693 . . . . 0.0 109.162 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.605 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.5 mt -74.88 -29.68 22.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.532 ' HA ' HD13 ' A' ' 88' ' ' LEU . 37.1 t80 -63.58 -46.72 84.58 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.333 -0.855 . . . . 0.0 109.431 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 69' ' ' THR . 19.8 t-20 -78.3 -37.94 43.6 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.627 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 130' ' ' LEU . 36.8 tp -57.56 -33.42 68.12 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.444 -0.785 . . . . 0.0 109.399 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 63' ' ' ILE . 17.4 m-85 -95.3 -24.73 16.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.667 -0.646 . . . . 0.0 110.015 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -79.08 -14.76 58.95 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.336 -0.852 . . . . 0.0 110.381 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 65' ' ' ASN . 22.6 p -55.6 151.76 10.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.18 -0.95 . . . . 0.0 110.044 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -62.25 -22.23 65.82 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.588 -0.695 . . . . 0.0 109.751 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 43.7 m-20 -78.61 -40.91 33.09 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.357 -0.84 . . . . 0.0 109.688 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.503 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 21.9 t -79.46 -32.83 42.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 110.141 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.463 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 72.3 m -62.63 -35.93 81.18 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.52 -0.738 . . . . 0.0 109.124 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.38 -26.31 30.57 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -67.24 -31.57 72.01 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.544 -0.723 . . . . 0.0 110.333 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -120.16 175.08 6.11 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.479 -0.763 . . . . 0.0 109.631 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.73 133.82 46.92 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.9 -28.27 69.42 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.415 -0.803 . . . . 0.0 110.418 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.7 m -78.18 -44.81 24.82 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 108.84 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.0 -37.58 87.74 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.1 mt -71.96 -33.03 67.85 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.2 -50.89 69.96 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -63.87 -35.04 79.35 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.856 ' HA ' HD13 ' A' ' 17' ' ' LEU . 21.2 t80 -64.98 -32.06 73.6 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.805 -0.559 . . . . 0.0 109.877 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.56 -38.59 65.16 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.062 -1.024 . . . . 0.0 109.207 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.4 m -69.23 -36.47 77.25 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 109.682 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -73.2 -36.07 66.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.302 -0.873 . . . . 0.0 109.157 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.836 HD11 ' CE2' ' A' ' 84' ' ' PHE . 64.3 mt -66.7 -40.37 88.45 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.488 -0.758 . . . . 0.0 109.257 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -72.68 -38.63 67.53 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.472 -0.768 . . . . 0.0 110.426 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.92 -48.25 69.24 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.11 -0.994 . . . . 0.0 109.8 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.48 -26.67 68.54 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.508 HD22 ' CE1' ' A' ' 57' ' ' HIS . 14.2 mt -66.92 -50.68 61.61 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.533 -0.73 . . . . 0.0 109.223 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -57.34 -38.35 73.97 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.642 -0.662 . . . . 0.0 109.582 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.99 -45.73 84.38 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 56' ' ' LEU . 69.2 mt -62.71 -26.46 68.69 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.144 0.497 . . . . 0.0 109.712 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' O ' HG13 ' A' ' 100' ' ' ILE . 86.1 tt0 -81.32 -33.02 32.81 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 121.503 -0.748 . . . . 0.0 110.012 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.82 -46.64 67.82 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.427 -0.795 . . . . 0.0 109.654 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.593 ' SG ' HD13 ' A' ' 53' ' ' ILE . 72.8 m -59.12 -47.31 85.73 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.586 HG13 HG11 ' A' ' 105' ' ' VAL . 72.8 t -60.3 -42.7 91.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 121.65 -0.657 . . . . 0.0 110.338 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 96' ' ' GLU . 86.9 mt -57.86 -53.03 50.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 O-C-N 121.379 -0.826 . . . . 0.0 109.261 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -76.19 171.15 14.99 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.02 -39.07 96.15 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.781 HG21 HD21 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -58.4 105.1 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 O-C-N 121.724 -0.868 . . . . 0.0 110.012 179.536 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 134.47 -90.93 0.24 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.586 HG11 HG13 ' A' ' 99' ' ' VAL . 35.4 m -86.36 150.56 3.83 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 O-C-N 121.589 -0.947 . . . . 0.0 109.524 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 108' ' ' THR . 12.7 t -168.06 -154.19 0.14 Allowed 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.454 -0.779 . . . . 0.0 109.486 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 108' ' ' THR . 97.6 mt-10 -51.61 -20.21 1.89 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.675 -0.641 . . . . 0.0 111.397 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.505 ' H ' HG23 ' A' ' 106' ' ' THR . 58.5 m -19.01 127.25 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 123.11 0.564 . . . . 0.0 112.122 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.462 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 37.7 Cg_endo -65.06 174.31 4.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 O-C-N 124.047 1.551 . . . . 0.0 111.483 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.4 mt -44.86 -20.2 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.859 0 O-C-N 122.102 -0.374 . . . . 0.0 111.916 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.462 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 18.9 ptm -49.81 -29.35 7.74 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.155 -0.966 . . . . 0.0 109.987 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.568 ' HE3' ' HG3' ' A' ' 54' ' ' PRO . 80.7 tttt -55.0 -42.09 72.06 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.617 -0.677 . . . . 0.0 109.608 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -85.81 -31.68 22.18 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 121.416 -0.803 . . . . 0.0 109.604 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 111' ' ' MET . 55.1 m-20 -61.43 -34.74 75.9 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.266 -0.896 . . . . 0.0 109.608 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 p -65.8 -46.9 76.94 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.341 -0.849 . . . . 0.0 108.878 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.837 HD13 ' HG3' ' A' ' 58' ' ' GLU . 80.0 mt -64.51 -31.58 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.941 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 117' ' ' LEU . 22.6 mt -69.39 -30.39 68.36 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.697 -0.627 . . . . 0.0 109.424 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.85 -48.92 67.33 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.27 -28.28 43.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -67.37 -43.23 81.91 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.291 -0.881 . . . . 0.0 109.85 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -29.24 65.48 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.388 -0.82 . . . . 0.0 109.179 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.785 ' CE2' HD11 ' A' ' 126' ' ' ILE . 72.7 t80 -65.96 -50.98 62.41 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.567 -0.708 . . . . 0.0 109.225 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -69.06 -27.37 65.58 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.783 -0.573 . . . . 0.0 110.171 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -63.74 -42.55 97.85 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.428 ' HD3' ' C ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -66.04 -41.79 90.4 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 122' ' ' TYR . 66.1 mt -57.59 -38.5 64.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.544 HG22 ' HE2' ' A' ' 131' ' ' LYS . 40.1 m -64.68 -42.0 95.67 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.54 -0.725 . . . . 0.0 109.552 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -65.53 -37.99 88.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.54 -0.725 . . . . 0.0 109.353 179.794 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.425 ' CG ' ' HE1' ' A' ' 36' ' ' PHE . 39.2 t80 -61.3 -39.04 88.99 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.544 -0.722 . . . . 0.0 109.347 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 66' ' ' LEU . 44.1 mt -66.03 -41.0 91.51 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.719 -0.613 . . . . 0.0 109.377 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.544 ' HE2' HG22 ' A' ' 127' ' ' THR . 61.7 mttm -70.69 -27.35 63.94 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 109.825 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.45 ' HG3' HD13 ' A' ' 128' ' ' LEU . 38.4 mt-10 -70.78 -48.69 52.95 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.366 -0.834 . . . . 0.0 109.599 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.7 mptt -82.05 3.73 25.67 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.656 -0.652 . . . . 0.0 109.711 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 61.75 35.78 16.63 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.386 -0.821 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 69.8 m-85 59.61 49.36 8.47 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.539 -0.726 . . . . 0.0 109.685 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.536 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.8 m -76.75 163.97 62.31 Favored Pre-proline 0 C--O 1.218 -0.602 0 O-C-N 121.476 -0.765 . . . . 0.0 109.286 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.2 Cg_endo -68.16 -40.03 9.44 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 O-C-N 123.78 1.411 . . . . 0.0 111.07 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -70.3 -35.41 73.67 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.489 -0.757 . . . . 0.0 109.384 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.26 -38.1 89.86 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.539 -0.726 . . . . 0.0 109.074 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 36.9 m95 -73.8 -33.32 64.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.448 -0.783 . . . . 0.0 109.702 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.421 ' HB2' HD11 ' A' ' 24' ' ' ILE . 34.8 tp10 -63.31 -41.32 98.92 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.7 t -65.3 -45.18 94.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.4 t -65.3 -24.18 34.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.459 ' NH1' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -65.11 -52.56 54.68 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.499 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.24 -32.24 73.75 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.773 -0.579 . . . . 0.0 109.807 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.55 -36.14 76.06 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 121.591 -0.693 . . . . 0.0 109.906 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 143' ' ' VAL . 30.5 mm -76.79 -34.99 23.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 121.186 -0.947 . . . . 0.0 109.484 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 29.4 ttm -66.98 -47.19 72.32 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.38 -0.825 . . . . 0.0 109.601 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 3.5 mmt180 -72.35 -40.25 67.51 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.702 -0.624 . . . . 0.0 110.575 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.423 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 74.9 m -66.58 -43.9 83.68 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.705 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.838 ' HB3' HD21 ' A' ' 15' ' ' LEU . 29.8 t80 -67.14 -36.18 81.31 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.581 -0.699 . . . . 0.0 109.371 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -71.41 -30.23 65.83 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.513 -0.742 . . . . 0.0 109.28 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 149' ' ' ARG . 48.4 mt -69.38 -46.12 67.67 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.577 -0.702 . . . . 0.0 109.331 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.563 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 18.8 m -66.71 -42.49 86.29 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.762 -0.586 . . . . 0.0 109.681 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.524 HG21 ' HB2' ' A' ' 11' ' ' SER . 81.9 p -79.24 -8.94 59.42 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.573 -0.704 . . . . 0.0 110.746 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -61.84 -22.26 65.35 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.064 -1.023 . . . . 0.0 109.375 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.585 ' N ' HD22 ' A' ' 157' ' ' LEU . 3.4 mm? -78.0 -10.5 59.63 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.401 -0.812 . . . . 0.0 110.025 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.81 -42.6 97.65 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 120.975 -1.078 . . . . 0.0 108.91 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 160' ' ' SER . 7.1 mm-40 -98.19 -2.31 40.11 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.503 -0.748 . . . . 0.0 110.427 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.545 ' C ' ' O ' ' A' ' 159' ' ' GLU . 22.5 m 3.17 83.74 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.634 0.774 . . . . 0.0 112.104 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 161' ' ' LEU . 6.5 mp -76.65 67.98 2.85 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -85.65 -32.52 21.95 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.499 -0.751 . . . . 0.0 109.487 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.1 t -73.93 147.81 42.77 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.419 -0.801 . . . . 0.0 109.361 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -146.76 71.61 1.24 Allowed 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.576 -0.703 . . . . 0.0 109.346 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.889 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.551 ' CB ' HG21 ' A' ' 103' ' ' VAL . 7.8 t . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.597 0.713 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -100.63 71.5 1.5 Allowed 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.5 mm? -68.61 -55.22 11.96 Favored Pre-proline 0 C--O 1.216 -0.681 0 O-C-N 121.367 -0.833 . . . . 0.0 109.164 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.491 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 47.7 Cg_endo -74.17 105.8 2.1 Favored 'Trans proline' 0 C--N 1.356 0.932 0 O-C-N 123.441 1.232 . . . . 0.0 109.989 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -94.55 83.76 4.18 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.441 -0.787 . . . . 0.0 108.995 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -117.86 -75.1 0.58 Allowed 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.57 -0.706 . . . . 0.0 109.55 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -107.39 174.08 6.04 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.33 -0.856 . . . . 0.0 109.687 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.468 ' C ' HD12 ' A' ' 9' ' ' LEU . 50.3 m -143.1 100.58 3.66 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.9 mp -111.48 -27.71 8.49 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 121.609 -0.682 . . . . 0.0 110.175 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.35 -38.65 3.9 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p -95.8 -31.98 12.91 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.19 -1.182 . . . . 0.0 110.255 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -68.37 -46.51 69.87 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.286 -0.884 . . . . 0.0 110.566 -178.661 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.648 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 13.5 ptm180 -74.79 -28.16 60.61 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 m -73.0 -41.5 64.22 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.253 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.792 HD21 ' HB3' ' A' ' 151' ' ' PHE . 56.3 mt -70.59 -40.06 73.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.528 -0.732 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.566 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -63.58 -31.5 72.68 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.003 -1.061 . . . . 0.0 109.066 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 84' ' ' PHE . 53.9 mt -63.39 -45.15 92.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD21 ' CZ ' ' A' ' 84' ' ' PHE . 63.3 mt -58.99 -30.1 67.71 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.796 -0.565 . . . . 0.0 109.695 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.42 52.58 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.097 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -70.7 -31.97 69.03 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.291 -0.881 . . . . 0.0 110.526 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.637 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 ptp -72.34 -7.79 51.48 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.189 -0.944 . . . . 0.0 110.821 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.88 117.0 4.51 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 120.813 -1.179 . . . . 0.0 110.152 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.637 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.9 mptp? -91.27 -37.21 13.44 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.511 -0.743 . . . . 0.0 109.058 178.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.858 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.0 pt -125.81 171.02 15.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-O 121.464 0.65 . . . . 0.0 109.708 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -91.21 151.61 20.87 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.88 -27.84 69.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 109.102 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.404 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 76.5 m-85 -67.93 -36.9 80.94 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.42 -0.8 . . . . 0.0 109.363 178.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -64.62 -23.27 67.21 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.238 -0.914 . . . . 0.0 108.577 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.858 ' SG ' HD12 ' A' ' 24' ' ' ILE . 87.1 m -117.26 55.36 0.85 Allowed 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.672 -0.642 . . . . 0.0 110.282 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' A' ' 33' ' ' ARG . 35.3 mt -86.98 4.18 42.8 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.07 -1.019 . . . . 0.0 109.952 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -95.94 -23.71 16.73 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.884 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.702 ' O ' HG21 ' A' ' 142' ' ' VAL . 58.3 m-20 -115.23 28.12 8.91 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.328 -0.858 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.789 ' HD2' HD23 ' A' ' 30' ' ' LEU . 16.3 ptm180 -105.12 123.5 47.93 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.803 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -149.08 145.59 27.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.27 115.14 5.28 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 37.9 m-85 -69.56 -49.71 51.71 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.561 -0.712 . . . . 0.0 109.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.1 53.71 0.22 Allowed Glycine 0 C--O 1.217 -0.917 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 86.2 t80 -69.18 127.04 93.14 Favored Pre-proline 0 C--O 1.217 -0.648 0 O-C-N 121.492 -1.005 . . . . 0.0 108.929 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.596 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.2 Cg_endo -81.54 67.41 8.41 Favored 'Trans proline' 0 C--N 1.351 0.666 0 O-C-N 123.823 1.433 . . . . 0.0 111.531 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 153' ' ' LEU . 42.1 tp60 -73.56 -18.05 61.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.239 -0.913 . . . . 0.0 109.371 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.98 -30.88 68.28 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.261 -0.9 . . . . 0.0 109.259 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -98.97 35.91 1.79 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.404 -0.81 . . . . 0.0 109.003 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.692 ' O ' HD21 ' A' ' 157' ' ' LEU . 7.0 m-85 -140.23 27.94 2.1 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.401 -0.812 . . . . 0.0 109.01 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.414 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -122.77 -94.63 1.2 Allowed Glycine 0 C--O 1.217 -0.926 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 7.1 m120 -62.57 134.45 56.39 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.768 -0.843 . . . . 0.0 109.557 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 78.7 mt-30 70.17 30.87 3.36 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.85 -0.531 . . . . 0.0 110.134 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.582 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 75.4 m-85 -143.92 33.71 1.25 Allowed 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.273 -0.892 . . . . 0.0 109.682 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -136.17 165.5 25.59 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.321 -0.862 . . . . 0.0 109.563 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 59.45 55.33 4.21 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.505 -0.747 . . . . 0.0 109.433 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.589 ' HB1' ' HA2' ' A' ' 104' ' ' GLY . . . 60.93 72.26 0.53 Allowed 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.607 -0.683 . . . . 0.0 109.799 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -142.92 -48.05 0.32 Allowed 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.354 -0.841 . . . . 0.0 109.626 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.582 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 10.2 t -89.06 15.14 9.16 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.621 -0.674 . . . . 0.0 109.787 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.896 HG23 HD23 ' A' ' 95' ' ' LEU . 62.6 mt -57.21 -43.86 99.41 Favored Pre-proline 0 C--O 1.214 -0.798 0 O-C-N 121.285 -0.884 . . . . 0.0 110.84 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -64.44 -32.85 59.46 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 123.112 1.059 . . . . 0.0 110.641 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.575 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.6 t -73.7 -38.56 51.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.608 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 71.8 mt -68.42 -25.43 65.02 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.568 -0.707 . . . . 0.0 109.109 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' O ' HD21 ' A' ' 92' ' ' LEU . 59.4 t-80 -71.35 -50.79 28.69 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.328 -0.857 . . . . 0.0 109.407 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.654 ' HB3' HG23 ' A' ' 116' ' ' ILE . 15.8 tp10 -73.14 -27.91 61.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.119 -0.988 . . . . 0.0 109.881 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.404 ' HG3' HG11 ' A' ' 119' ' ' VAL . 18.1 ttt -70.69 -47.16 61.3 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.424 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.515 HG23 ' CD2' ' A' ' 88' ' ' LEU . 9.5 mt -70.34 -24.14 25.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.429 -0.794 . . . . 0.0 109.019 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -70.67 -40.11 73.16 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.35 -37.93 86.47 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.616 -0.677 . . . . 0.0 109.295 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.472 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.1 mt -70.86 -28.76 34.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.642 ' HA ' HD13 ' A' ' 88' ' ' LEU . 18.9 t80 -64.03 -51.92 61.9 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.375 -0.828 . . . . 0.0 109.555 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 69' ' ' THR . 56.5 t30 -74.53 -32.37 62.45 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.781 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 130' ' ' LEU . 38.6 tp -63.4 -31.76 73.01 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.315 -0.866 . . . . 0.0 109.288 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 63' ' ' ILE . 23.0 m-85 -100.6 -11.59 19.93 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.581 -0.7 . . . . 0.0 110.101 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 9.6 t -91.78 -13.68 31.11 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.194 -0.941 . . . . 0.0 109.743 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 65' ' ' ASN . 5.1 p -57.16 151.63 15.13 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.295 -0.878 . . . . 0.0 110.005 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.99 -24.83 67.87 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.585 -0.697 . . . . 0.0 109.679 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 45.6 m-20 -75.99 -38.75 57.05 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.44 -0.788 . . . . 0.0 109.289 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.508 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 88.3 p -78.06 -32.97 51.1 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.668 -0.645 . . . . 0.0 109.947 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.2 t -65.77 -34.01 77.19 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.557 -0.714 . . . . 0.0 109.443 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.27 -25.64 31.42 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.95 -35.91 77.32 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.518 -0.739 . . . . 0.0 110.141 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.449 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 65.8 m95 -116.75 170.41 8.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.689 -0.632 . . . . 0.0 109.813 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.41 134.13 52.81 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.212 -0.91 0 O-C-N 121.543 -0.723 . . . . 0.0 110.193 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -78.71 -44.58 23.19 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.136 -0.977 . . . . 0.0 108.937 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.19 -35.29 78.41 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.7 mt -75.24 -32.51 61.13 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.414 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 39.1 m-20 -55.92 -49.85 72.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.42 -39.7 94.34 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 88' ' ' LEU . 16.9 t80 -61.95 -26.46 68.21 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 121.739 -0.601 . . . . 0.0 109.875 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.9 m-85 -76.12 -41.02 51.44 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.096 -1.002 . . . . 0.0 109.083 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.0 m -69.37 -32.9 72.25 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.642 -0.661 . . . . 0.0 109.614 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.648 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -74.64 -35.3 62.87 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.285 -0.885 . . . . 0.0 109.643 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.771 HD11 ' CE2' ' A' ' 84' ' ' PHE . 74.8 mt -71.22 -41.27 70.43 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.496 -0.753 . . . . 0.0 109.599 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.5 t80 -77.34 -27.11 52.65 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.557 -0.714 . . . . 0.0 110.171 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -69.94 -49.91 47.15 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.168 -0.957 . . . . 0.0 108.681 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.451 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 62.2 tp60 -67.2 -31.95 72.67 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 12.2 mt -66.64 -35.01 79.15 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.498 -0.752 . . . . 0.0 109.693 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -69.42 -42.36 75.13 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.394 -0.816 . . . . 0.0 109.459 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -35.11 74.06 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.492 -0.755 . . . . 0.0 109.582 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.896 HD23 HG23 ' A' ' 53' ' ' ILE . 69.3 mt -65.59 -39.68 91.86 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.615 -0.678 . . . . 0.0 109.68 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -73.22 -39.05 65.84 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.502 -0.749 . . . . 0.0 109.287 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.78 -40.12 79.07 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.727 ' HB2' HG21 ' A' ' 53' ' ' ILE . 91.1 m -61.24 -46.79 88.95 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.3 -43.12 97.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 O-C-N 121.839 -0.538 . . . . 0.0 110.252 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.0 -52.91 47.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 121.354 -0.841 . . . . 0.0 109.61 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.461 ' HB2' HG22 ' A' ' 103' ' ' VAL . 23.4 mm100 -74.78 172.38 12.27 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.621 -0.674 . . . . 0.0 109.887 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.55 -32.89 71.43 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.551 HG21 ' CB ' ' A' ' 1' ' ' CYS . 15.0 m -52.0 111.9 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 O-C-N 121.673 -0.898 . . . . 0.0 109.971 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.589 ' HA2' ' HB1' ' A' ' 50' ' ' ALA . . . 148.29 -143.78 11.5 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 106' ' ' THR . 8.2 p -133.88 138.15 51.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 O-C-N 121.382 -1.069 . . . . 0.0 109.642 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 105' ' ' VAL . 0.5 OUTLIER -174.44 130.8 0.36 Allowed 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.478 0.656 . . . . 0.0 109.524 179.714 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -160.51 -72.18 0.07 Allowed 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.596 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 7.4 t 179.42 54.6 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.596 ' HD3' ' N ' ' A' ' 108' ' ' THR . 50.5 Cg_endo -94.6 132.44 0.64 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 O-C-N 123.191 1.101 . . . . 0.0 111.455 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.31 -18.08 60.75 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.4 ptm -80.6 1.77 28.43 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.595 -0.691 . . . . 0.0 110.568 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -55.94 -34.33 65.54 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.047 -1.033 . . . . 0.0 109.42 179.619 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' HB2' ' HE2' ' A' ' 112' ' ' LYS . 11.5 tp10 -102.61 -20.88 14.27 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 121.519 -0.738 . . . . 0.0 109.503 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -59.41 -41.86 90.45 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 121.228 -0.92 . . . . 0.0 109.788 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.476 ' OG ' HG22 ' A' ' 55' ' ' VAL . 21.6 p -63.14 -50.67 69.51 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.38 -0.825 . . . . 0.0 109.514 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.654 HG23 ' HB3' ' A' ' 58' ' ' GLU . 80.3 mt -66.5 -35.8 75.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 O-C-N 121.7 -0.625 . . . . 0.0 109.449 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 117' ' ' LEU . 6.7 tt -63.9 -35.51 80.89 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.596 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -63.92 -49.55 72.21 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 59' ' ' MET . 67.9 t -63.35 -28.62 45.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' A' ' 120' ' ' ARG . 5.2 tmm_? -64.76 -48.14 75.65 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.272 -0.893 . . . . 0.0 109.121 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 121' ' ' LYS . 12.7 tmtt? -63.51 -35.76 81.53 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.538 -0.726 . . . . 0.0 109.321 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.654 ' CE2' HD11 ' A' ' 126' ' ' ILE . 67.2 t80 -61.03 -53.37 57.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.607 -0.683 . . . . 0.0 109.576 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -70.44 -22.32 62.71 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.673 -0.642 . . . . 0.0 110.404 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.77 -40.67 88.3 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.08 -36.2 77.35 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.654 HD11 ' CE2' ' A' ' 122' ' ' TYR . 59.4 mt -65.67 -36.45 77.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.8 m -68.56 -42.06 78.86 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.5 tt -69.43 -33.82 73.54 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.432 -0.793 . . . . 0.0 109.272 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.451 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 11.4 t80 -62.95 -38.47 91.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 109.196 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 66' ' ' LEU . 50.0 mt -68.26 -42.87 78.98 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -69.26 -23.44 63.85 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.304 -0.873 . . . . 0.0 109.871 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.34 -48.94 25.02 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.342 -0.849 . . . . 0.0 109.187 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' HB3' ' HB3' ' A' ' 136' ' ' SER . 14.6 mptt -83.43 3.89 30.0 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.701 -0.624 . . . . 0.0 109.709 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 59.04 43.6 17.37 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.499 -0.751 . . . . 0.0 109.659 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.6 m-85 58.22 49.38 11.31 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.619 0.723 . . . . 0.0 109.499 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.473 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.6 t -75.81 151.54 84.54 Favored Pre-proline 0 C--O 1.217 -0.654 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.473 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.7 Cg_endo -63.53 -29.32 70.61 Favored 'Trans proline' 0 C--N 1.351 0.71 0 O-C-N 123.693 1.365 . . . . 0.0 110.913 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.31 -39.07 49.19 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.406 -0.809 . . . . 0.0 108.882 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.55 -38.72 92.19 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.508 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 23.0 m95 -70.23 -34.22 72.6 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.546 -0.721 . . . . 0.0 109.536 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -64.45 -43.59 93.77 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.44 -0.788 . . . . 0.0 109.205 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.702 HG21 ' O ' ' A' ' 32' ' ' ASP . 75.8 t -66.76 -41.54 88.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 139' ' ' ALA . 88.5 t -68.0 -24.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.668 -0.645 . . . . 0.0 109.262 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.449 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 35.8 ttp85 -69.04 -48.68 62.28 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.246 -0.909 . . . . 0.0 108.746 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.51 -30.21 68.98 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.418 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 41.3 mm-40 -73.63 -33.81 64.71 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.553 -0.717 . . . . 0.0 109.878 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.7 mm -77.61 -33.47 19.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.2 ttm -72.52 -38.66 68.0 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -70.58 -46.69 62.99 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 121.62 -0.675 . . . . 0.0 109.264 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 80.6 p -62.0 -41.37 97.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.837 -0.539 . . . . 0.0 109.737 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.792 ' HB3' HD21 ' A' ' 15' ' ' LEU . 31.4 t80 -66.29 -41.92 89.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.461 -0.774 . . . . 0.0 109.404 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 156' ' ' ASN . 69.3 m -65.94 -34.55 78.37 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.474 -0.766 . . . . 0.0 109.45 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.433 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . 52.5 mt -68.01 -38.76 82.97 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.608 -0.683 . . . . 0.0 109.383 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.608 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.1 m -74.17 -27.26 60.74 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.216 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.64 HG21 ' CE1' ' A' ' 151' ' ' PHE . 74.8 p -101.02 0.66 38.48 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.354 -0.841 . . . . 0.0 110.777 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 159' ' ' GLU . 0.0 OUTLIER -74.93 -3.53 32.71 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 109.709 178.587 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.692 HD21 ' O ' ' A' ' 43' ' ' PHE . 4.3 mm? -60.35 -38.66 84.54 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.038 -1.039 . . . . 0.0 109.136 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -106.82 -27.81 10.51 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.542 -0.724 . . . . 0.0 109.591 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 156' ' ' ASN . 52.8 tp10 -75.49 -20.88 58.48 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.309 -0.87 . . . . 0.0 110.323 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 10.5 t -101.39 40.68 1.27 Allowed 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.433 -0.792 . . . . 0.0 109.529 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 161' ' ' LEU . 8.0 tt -63.68 -44.31 94.1 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -149.47 -51.76 0.15 Allowed 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 39.2 t -93.36 114.04 26.37 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.427 -0.796 . . . . 0.0 108.982 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.55 38.7 1.74 Allowed 'General case' 0 C--O 1.22 -0.488 0 O-C-N 121.538 -0.726 . . . . 0.0 109.542 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.222 -0.362 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.287 179.932 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.877 ' HB2' HG21 ' A' ' 103' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.776 0.798 . . . . 0.0 109.784 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -145.89 101.1 3.5 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -67.59 -56.08 13.03 Favored Pre-proline 0 C--O 1.217 -0.642 0 O-C-N 121.384 -0.822 . . . . 0.0 109.387 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.9 Cg_endo -73.83 101.93 1.45 Allowed 'Trans proline' 0 C--N 1.354 0.827 0 O-C-N 123.623 1.328 . . . . 0.0 109.968 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -101.16 82.61 2.37 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.481 -0.762 . . . . 0.0 109.579 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.1 p -100.16 38.86 1.41 Allowed 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.441 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -108.18 -173.09 2.19 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.39 -0.819 . . . . 0.0 109.436 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.5 t -76.14 175.2 9.18 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.354 -0.841 . . . . 0.0 109.484 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.7 mm? -76.05 122.52 24.36 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.295 -0.878 . . . . 0.0 109.273 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.94 -43.14 11.36 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.621 ' CB ' HG21 ' A' ' 155' ' ' THR . 29.5 t -68.62 -27.68 66.24 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.532 -0.981 . . . . 0.0 109.907 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -66.42 -37.77 85.95 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.305 -0.872 . . . . 0.0 109.413 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -74.18 -37.86 63.82 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.481 -0.762 . . . . 0.0 109.586 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.414 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 41.1 m -64.34 -43.07 95.76 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.443 -0.786 . . . . 0.0 109.113 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.907 HD23 HD12 ' A' ' 18' ' ' LEU . 80.6 mt -72.29 -29.98 64.38 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.557 -0.715 . . . . 0.0 109.273 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.79 -39.16 93.58 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.709 HD13 ' HA ' ' A' ' 84' ' ' PHE . 95.4 mt -61.98 -43.41 98.89 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.907 HD12 HD23 ' A' ' 15' ' ' LEU . 64.2 mt -59.19 -38.21 79.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.945 -0.472 . . . . 0.0 110.039 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.39 93.18 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.44 -0.787 . . . . 0.0 109.615 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.44 -32.84 72.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.415 -0.803 . . . . 0.0 109.843 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.484 ' HG3' ' HB3' ' A' ' 80' ' ' LEU . 18.5 mtp -66.67 -30.18 70.37 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.457 -0.777 . . . . 0.0 110.28 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -48.93 116.59 1.71 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 2.0 pttp -101.57 -36.57 8.73 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.811 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -114.53 170.49 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-O 121.538 0.685 . . . . 0.0 109.897 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -96.81 145.28 25.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.22 -33.23 73.14 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.514 -0.741 . . . . 0.0 109.014 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -66.98 -38.6 86.34 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.468 -0.77 . . . . 0.0 108.972 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.2 m -64.75 -29.93 70.92 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.032 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.811 ' SG ' HD12 ' A' ' 24' ' ' ILE . 9.6 m -113.78 55.87 0.71 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.63 -0.669 . . . . 0.0 109.823 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 46.6 mt -82.12 7.6 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.942 -1.099 . . . . 0.0 110.334 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -71.69 -35.44 70.25 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.208 -0.933 . . . . 0.0 108.742 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.607 ' O ' HG21 ' A' ' 142' ' ' VAL . 44.2 m-20 -114.87 30.11 7.57 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -74.91 116.03 15.17 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.427 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 32' ' ' ASP . 36.0 p80 -176.11 163.47 2.64 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.651 -0.655 . . . . 0.0 109.46 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -93.97 124.72 38.16 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 21.3 m-85 -60.79 -36.95 80.31 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.08 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.19 52.99 0.36 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.486 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.1 t80 -62.18 128.75 91.45 Favored Pre-proline 0 C--O 1.216 -0.668 0 O-C-N 121.689 -0.889 . . . . 0.0 108.946 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.486 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.9 Cg_endo -76.8 65.96 7.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 O-C-N 123.822 1.433 . . . . 0.0 110.695 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.621 ' HG3' HD22 ' A' ' 153' ' ' LEU . 2.8 tm0? -72.82 -14.51 61.53 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -59.07 -27.93 65.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 5.1 tp10 -99.16 29.25 3.99 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.532 -0.73 . . . . 0.0 109.067 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.635 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 32.2 m-85 -143.74 37.33 1.32 Allowed 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.364 -0.835 . . . . 0.0 108.896 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -159.11 34.54 0.48 Allowed Glycine 0 C--O 1.216 -0.986 0 C-N-CA 119.838 -1.172 . . . . 0.0 110.46 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -167.87 112.85 0.67 Allowed 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.56 -0.965 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 60.37 23.65 13.17 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.499 -0.751 . . . . 0.0 109.515 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 39.9 m-85 -115.44 35.49 4.37 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.32 -0.862 . . . . 0.0 109.233 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -133.48 154.07 51.1 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.294 -0.879 . . . . 0.0 109.593 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp 67.46 73.93 0.32 Allowed 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . . . 55.01 52.91 11.06 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.68 -0.637 . . . . 0.0 110.159 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -127.31 -55.08 1.35 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.875 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 11.5 t -95.38 7.12 47.15 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.682 -0.636 . . . . 0.0 110.107 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.69 HG23 HD23 ' A' ' 95' ' ' LEU . 31.9 mt -53.38 -45.65 98.37 Favored Pre-proline 0 C--O 1.215 -0.73 0 O-C-N 121.108 -0.995 . . . . 0.0 110.586 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.93 -32.24 54.95 Favored 'Trans proline' 0 C--N 1.356 0.973 0 O-C-N 123.316 1.167 . . . . 0.0 110.633 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.763 ' HA ' HG12 ' A' ' 116' ' ' ILE . 76.7 t -71.74 -46.03 63.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 154' ' ' SER . 47.3 mt -59.86 -32.15 70.43 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.444 ' O ' HD21 ' A' ' 92' ' ' LEU . 60.3 t-80 -65.17 -53.16 49.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.685 -0.634 . . . . 0.0 109.738 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.25 -23.58 62.93 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.067 -1.021 . . . . 0.0 110.29 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.494 ' HG3' HG11 ' A' ' 119' ' ' VAL . 3.2 ttt -70.88 -45.54 64.18 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.191 -0.943 . . . . 0.0 108.744 178.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.584 HG23 ' CD2' ' A' ' 88' ' ' LEU . 30.1 mt -71.41 -25.31 24.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 121.524 -0.735 . . . . 0.0 109.484 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -72.09 -35.92 69.35 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -70.18 -39.47 75.23 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.444 HG23 ' CE1' ' A' ' 67' ' ' PHE . 83.2 mt -68.56 -31.55 51.56 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.577 ' HA ' HD13 ' A' ' 88' ' ' LEU . 25.9 t80 -62.04 -48.93 78.05 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.722 -0.611 . . . . 0.0 109.746 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.756 ' O ' HG23 ' A' ' 69' ' ' THR . 6.8 m120 -76.84 -33.68 57.9 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.2 tp -63.06 -31.91 73.16 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.314 -0.866 . . . . 0.0 109.235 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.5 m-85 -94.53 -24.19 17.37 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.685 -0.635 . . . . 0.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -80.8 -13.21 59.16 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.855 . . . . 0.0 110.473 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 65' ' ' ASN . 21.5 p -58.4 150.1 23.18 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.179 -0.95 . . . . 0.0 110.065 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.98 -22.48 62.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.759 -0.588 . . . . 0.0 110.006 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -78.38 -43.5 27.39 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.355 -0.841 . . . . 0.0 109.591 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 t -75.58 -30.84 59.75 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.405 -0.81 . . . . 0.0 109.593 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.1 m -65.54 -35.51 81.08 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.523 -0.736 . . . . 0.0 109.48 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.12 -24.9 34.88 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.58 73.29 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.475 -0.766 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 68.7 m95 -113.49 171.41 7.58 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.535 -0.728 . . . . 0.0 109.997 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -69.32 136.06 51.28 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.03 -28.33 68.78 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.588 -0.695 . . . . 0.0 110.598 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -78.1 -43.87 27.78 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.908 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.484 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 83.0 mt -64.34 -37.28 86.96 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.0 mt -72.51 -31.66 65.52 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -57.58 -54.33 48.12 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.81 -33.06 73.44 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.823 ' CE2' HD11 ' A' ' 88' ' ' LEU . 18.3 t80 -65.42 -34.41 78.23 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.771 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -71.4 -32.83 68.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 120.983 -1.073 . . . . 0.0 108.99 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -71.25 -40.66 70.87 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.507 -0.745 . . . . 0.0 109.619 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -73.4 -28.22 61.89 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.3 -0.875 . . . . 0.0 109.553 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.823 HD11 ' CE2' ' A' ' 84' ' ' PHE . 76.4 mt -73.61 -41.14 63.21 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.355 -0.84 . . . . 0.0 109.284 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -77.08 -29.97 55.25 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -73.76 -47.49 38.62 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.303 -0.873 . . . . 0.0 108.893 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.08 -29.66 70.79 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.444 HD21 ' O ' ' A' ' 57' ' ' HIS . 12.3 mt -67.99 -49.06 63.84 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.504 -0.747 . . . . 0.0 109.084 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -56.3 -38.51 71.35 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.703 -0.623 . . . . 0.0 109.693 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -67.74 -46.79 71.12 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 53' ' ' ILE . 52.4 mt -64.65 -22.82 67.07 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.887 -0.508 . . . . 0.0 110.323 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.56 ' HG2' HG13 ' A' ' 100' ' ' ILE . 23.8 tt0 -90.39 -24.63 20.73 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.234 -0.916 . . . . 0.0 110.149 -179.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 1' ' ' CYS . . . -51.46 -41.99 61.27 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.289 -0.882 . . . . 0.0 110.327 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.7 m -71.08 -36.65 72.32 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.469 -0.769 . . . . 0.0 109.711 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.87 -29.02 25.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 121.536 -0.728 . . . . 0.0 110.462 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.56 HG13 ' HG2' ' A' ' 96' ' ' GLU . 97.0 mt -70.85 -59.27 3.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 O-C-N 121.284 -0.885 . . . . 0.0 109.853 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -78.04 176.0 9.58 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 121.369 0.604 . . . . 0.0 110.363 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -89.38 49.16 3.44 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.877 HG21 ' HB2' ' A' ' 1' ' ' CYS . 10.4 t -72.76 165.51 3.01 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 O-C-N 121.628 -0.924 . . . . 0.0 108.823 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -69.91 83.83 0.3 Allowed Glycine 0 CA--C 1.531 1.073 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 105' ' ' VAL . 10.6 t -121.97 24.46 4.18 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 O-C-N 121.749 -0.854 . . . . 0.0 109.193 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.45 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 20.9 p -119.67 114.57 22.39 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.153 -0.967 . . . . 0.0 109.454 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 106' ' ' THR . 39.1 mt-10 -157.25 -51.99 0.07 Allowed 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 59.2 p -71.58 157.27 90.17 Favored Pre-proline 0 C--O 1.217 -0.646 0 O-C-N 121.646 -0.659 . . . . 0.0 110.205 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.638 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 41.7 Cg_endo -70.26 175.85 7.95 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 O-C-N 124.416 1.745 . . . . 0.0 110.787 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 110' ' ' LEU . 2.7 pt? -48.39 -9.83 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.638 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 10.6 ptm -66.54 4.67 0.72 Allowed 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.77 -1.206 . . . . 0.0 111.195 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.496 ' CE ' ' HB2' ' A' ' 54' ' ' PRO . 14.2 tmtt? -52.09 -39.44 59.76 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.031 -1.043 . . . . 0.0 109.625 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 32.1 tt0 -73.74 -26.54 60.73 Favored 'General case' 0 C--O 1.211 -0.943 0 O-C-N 121.233 -0.917 . . . . 0.0 109.489 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -63.35 -39.31 94.19 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.487 -0.758 . . . . 0.0 110.286 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.424 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 2.3 p -63.0 -44.9 94.74 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.13 -0.981 . . . . 0.0 109.061 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.763 HG12 ' HA ' ' A' ' 55' ' ' VAL . 68.5 mt -71.08 -30.83 42.71 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 109.144 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 117' ' ' LEU . 1.8 tt -67.72 -29.78 69.11 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.414 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -69.45 -45.51 68.89 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.494 HG11 ' HG3' ' A' ' 59' ' ' MET . 49.2 t -67.56 -23.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 120' ' ' ARG . 10.8 tpt180 -70.9 -50.24 37.15 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -66.31 -24.78 66.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.508 -0.745 . . . . 0.0 109.139 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.417 ' O ' HG13 ' A' ' 126' ' ' ILE . 31.2 t80 -69.66 -50.05 47.79 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.468 ' HA ' HD12 ' A' ' 126' ' ' ILE . 9.1 m-85 -69.56 -24.23 63.67 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.794 -0.566 . . . . 0.0 109.835 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -66.41 -41.08 89.81 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.41 -38.3 90.63 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.478 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 62.3 mt -63.35 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.416 HG22 ' HE2' ' A' ' 131' ' ' LYS . 12.9 m -65.93 -37.07 85.09 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.589 -0.695 . . . . 0.0 109.396 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 128' ' ' LEU . 14.8 tp -65.76 -43.11 89.86 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 121.554 -0.716 . . . . 0.0 109.208 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.417 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -62.5 -32.83 73.8 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.667 -0.646 . . . . 0.0 109.808 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.511 HD22 ' CE2' ' A' ' 140' ' ' TRP . 44.1 mt -73.81 -34.11 64.46 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.522 -0.736 . . . . 0.0 109.639 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.416 ' HE2' HG22 ' A' ' 127' ' ' THR . 54.7 mtmt -81.64 -19.93 40.73 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.99 -1.068 . . . . 0.0 109.482 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -79.98 -47.87 14.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.367 -0.833 . . . . 0.0 109.144 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 5.5 mptp? -82.18 2.8 29.9 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.632 -0.667 . . . . 0.0 109.516 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 59.67 40.38 20.0 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.295 -0.878 . . . . 0.0 109.686 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 88.3 m-85 58.66 51.46 7.77 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.379 0.609 . . . . 0.0 110.06 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.474 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 11.4 m -80.69 163.06 58.1 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.469 -0.769 . . . . 0.0 109.516 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.547 ' O ' HD11 ' A' ' 24' ' ' ILE . 41.4 Cg_endo -68.87 -36.16 14.05 Favored 'Trans proline' 0 C--N 1.349 0.597 0 O-C-N 123.765 1.403 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 16.6 m -68.55 -42.58 78.19 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.476 -0.765 . . . . 0.0 109.145 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.63 -39.64 94.87 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.56 -0.713 . . . . 0.0 109.204 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.511 ' CE2' HD22 ' A' ' 130' ' ' LEU . 21.7 m95 -69.21 -38.24 78.46 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.517 -0.739 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.438 ' CG ' HG13 ' A' ' 24' ' ' ILE . 13.3 tp10 -65.69 -39.44 91.28 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 32' ' ' ASP . 44.5 t -64.08 -38.91 83.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.702 ' HA ' ' HG2' ' A' ' 146' ' ' GLU . 87.7 t -74.05 -21.33 17.86 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.803 ' NH1' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.38 -52.3 41.69 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.62 65.93 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.702 ' HG2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -75.74 -35.49 60.2 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.559 -0.713 . . . . 0.0 109.73 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.626 ' N ' ' HG3' ' A' ' 146' ' ' GLU . 22.0 mm -81.22 -31.44 11.74 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 121.371 -0.831 . . . . 0.0 109.276 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.429 ' CG ' ' HB3' ' A' ' 18' ' ' LEU . 47.1 mtp -70.17 -43.08 71.53 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -39.56 58.58 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.491 -0.756 . . . . 0.0 109.991 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.412 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 72.6 m -68.75 -38.81 80.39 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.447 -0.783 . . . . 0.0 109.978 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.817 ' HB3' HD21 ' A' ' 15' ' ' LEU . 28.6 t80 -69.21 -35.24 76.01 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 109.124 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.0 t -69.09 -38.86 79.21 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.621 HD22 ' HG3' ' A' ' 40' ' ' GLN . 47.4 mt -64.25 -39.27 93.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.593 ' HB3' HD22 ' A' ' 56' ' ' LEU . 3.7 m -70.63 -31.49 68.47 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.774 -0.579 . . . . 0.0 110.112 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.621 HG21 ' CB ' ' A' ' 11' ' ' SER . 82.1 p -93.62 -0.37 56.18 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.317 -0.864 . . . . 0.0 110.062 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.81 0.87 41.89 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.101 -1.0 . . . . 0.0 110.104 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.502 HD11 ' C ' ' A' ' 43' ' ' PHE . 4.6 mm? -62.79 -18.17 62.31 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 120.958 -1.089 . . . . 0.0 110.03 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -53.07 -42.18 65.6 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.316 -0.865 . . . . 0.0 109.48 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -146.95 112.91 5.77 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.9 0.857 . . . . 0.0 108.713 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 59.2 m -112.44 79.97 1.28 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.483 ' N ' HD12 ' A' ' 161' ' ' LEU . 7.5 mp -80.19 82.46 6.24 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.566 -0.709 . . . . 0.0 109.331 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -125.89 59.54 1.3 Allowed 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 78.3 p -80.41 129.44 34.51 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.77 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -106.38 44.14 1.08 Allowed 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.329 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.73 0.776 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -91.11 76.85 6.08 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 4.3 mm? -67.36 -47.28 48.96 Favored Pre-proline 0 CA--C 1.541 0.625 0 O-C-N 121.586 -0.697 . . . . 0.0 110.203 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 40.6 Cg_endo -70.55 170.8 16.65 Favored 'Trans proline' 0 C--N 1.357 0.999 0 O-C-N 123.475 1.25 . . . . 0.0 111.344 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -80.3 76.45 7.09 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.5 p -125.52 56.35 1.38 Allowed 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 121.816 0.817 . . . . 0.0 108.852 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -96.61 170.04 9.47 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 121.363 0.602 . . . . 0.0 109.758 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.3 p -141.4 -154.92 0.54 Allowed 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.605 -0.684 . . . . 0.0 109.617 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -94.04 52.45 1.63 Allowed 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.304 -0.872 . . . . 0.0 109.802 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.07 -47.48 37.58 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.54 ' HB2' HG21 ' A' ' 155' ' ' THR . 31.4 t -75.04 -36.11 61.87 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.632 -0.922 . . . . 0.0 109.666 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.551 ' HB2' ' HB2' ' A' ' 9' ' ' LEU . 77.4 mtm180 -65.22 -33.4 75.9 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.424 -0.798 . . . . 0.0 109.809 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -72.24 -40.92 67.37 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.28 -0.887 . . . . 0.0 109.055 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -61.15 -42.42 98.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 151' ' ' PHE . 92.2 mt -70.58 -30.9 67.71 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ttp -63.39 -34.81 78.55 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 84' ' ' PHE . 78.5 mt -64.51 -42.6 95.7 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.767 HD12 HD23 ' A' ' 15' ' ' LEU . 65.0 mt -59.58 -30.35 68.59 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 109.554 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.63 -34.58 65.06 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.296 -0.877 . . . . 0.0 109.44 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.05 -46.33 71.42 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.413 -0.805 . . . . 0.0 109.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.4 ptp -62.0 -26.03 67.99 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.467 -0.77 . . . . 0.0 110.317 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -49.76 110.83 0.42 Allowed 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.448 -0.782 . . . . 0.0 109.514 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 4.7 mtpp -94.02 -38.67 11.03 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.894 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.6 pt -111.94 167.13 5.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 121.526 0.679 . . . . 0.0 109.791 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.6 m -91.17 143.21 26.91 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 30' ' ' LEU . 63.9 tp -59.24 -37.62 78.01 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.766 ' HA ' HD13 ' A' ' 30' ' ' LEU . 94.2 m-85 -60.19 -41.73 93.56 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 t -58.76 -31.01 67.97 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.894 ' SG ' HD12 ' A' ' 24' ' ' ILE . 67.3 m -104.3 51.73 0.77 Allowed 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.701 -0.624 . . . . 0.0 109.788 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.766 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -86.81 12.24 11.39 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.328 -0.858 . . . . 0.0 110.063 179.288 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -103.66 -22.54 13.56 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.2 -0.937 . . . . 0.0 109.608 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.707 ' O ' HG21 ' A' ' 142' ' ' VAL . 79.7 m-20 -112.17 24.49 12.54 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -78.01 101.92 7.15 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.945 -1.097 . . . . 0.0 110.076 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -130.22 117.51 19.98 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -72.51 138.87 47.25 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.502 -0.749 . . . . 0.0 109.461 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 44.9 m-85 -89.98 -44.79 9.63 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.31 72.71 0.5 Allowed Glycine 0 CA--C 1.532 1.143 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.1 t80 -69.98 131.93 88.81 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.513 -0.992 . . . . 0.0 109.042 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.8 Cg_endo -84.62 75.61 3.68 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 O-C-N 123.749 1.394 . . . . 0.0 111.195 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 41.4 tt0 -77.65 -15.87 58.91 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.215 -0.928 . . . . 0.0 109.358 178.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -57.63 -32.17 66.98 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.183 -0.948 . . . . 0.0 109.279 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.8 tp10 -97.34 40.1 1.17 Allowed 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.3 m-85 -142.08 -64.01 0.43 Allowed 'General case' 0 C--O 1.212 -0.903 0 O-C-N 121.311 -0.868 . . . . 0.0 109.06 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.422 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -71.65 -17.3 76.44 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 7.2 m120 -113.96 139.92 48.83 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.337 -1.096 . . . . 0.0 109.582 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 13.1 mp0 69.34 17.09 8.26 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.915 -0.491 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.863 ' CB ' HG23 ' A' ' 52' ' ' THR . 87.7 m-85 -147.04 125.71 12.55 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.172 -0.955 . . . . 0.0 108.751 178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -169.62 136.94 1.69 Allowed 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.446 -0.784 . . . . 0.0 109.503 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm 58.84 78.5 0.25 Allowed 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.653 -0.654 . . . . 0.0 109.902 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB1' HG12 ' A' ' 103' ' ' VAL . . . 60.76 76.49 0.37 Allowed 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.588 -0.695 . . . . 0.0 110.118 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG2' ' HB ' ' A' ' 105' ' ' VAL . 21.1 mt-10 -148.45 -47.59 0.15 Allowed 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.497 -0.752 . . . . 0.0 109.121 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.863 HG23 ' CB ' ' A' ' 47' ' ' PHE . 1.6 p -81.62 -6.06 58.64 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 121.762 -0.586 . . . . 0.0 109.878 178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.757 HG23 HD23 ' A' ' 95' ' ' LEU . 58.7 mt -44.86 -49.22 28.74 Favored Pre-proline 0 C--O 1.215 -0.751 0 O-C-N 121.346 -0.847 . . . . 0.0 111.4 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.0 Cg_endo -64.08 -36.99 45.05 Favored 'Trans proline' 0 C--N 1.355 0.872 0 O-C-N 123.104 1.054 . . . . 0.0 110.608 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.695 ' HA ' HG12 ' A' ' 116' ' ' ILE . 38.9 t -70.11 -37.66 72.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.627 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 29.4 mt -67.9 -29.99 69.22 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -68.01 -50.58 54.69 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.534 -0.729 . . . . 0.0 109.464 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.617 ' HG2' HG21 ' A' ' 116' ' ' ILE . 16.3 tp10 -71.62 -29.12 64.3 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.155 -0.966 . . . . 0.0 109.778 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.9 ttt -66.18 -47.73 73.0 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.2 -0.937 . . . . 0.0 109.064 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.634 HG23 ' CD2' ' A' ' 88' ' ' LEU . 13.6 mt -67.87 -24.97 31.32 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 121.504 -0.747 . . . . 0.0 109.423 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -35.74 64.67 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -68.7 -39.27 80.59 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 121.54 -0.725 . . . . 0.0 109.217 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.577 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.5 mt -71.07 -33.78 52.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.623 ' HA ' HD13 ' A' ' 88' ' ' LEU . 54.5 t80 -59.6 -42.71 93.2 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.587 -0.696 . . . . 0.0 109.704 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.731 ' O ' HG23 ' A' ' 69' ' ' THR . 21.0 t-20 -79.59 -42.41 25.05 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.616 -0.677 . . . . 0.0 109.908 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD11 HD11 ' A' ' 130' ' ' LEU . 32.5 tp -55.61 -32.45 63.13 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.468 -0.77 . . . . 0.0 109.518 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.577 ' CE1' HG23 ' A' ' 63' ' ' ILE . 16.2 m-85 -94.44 -27.95 15.75 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.493 -0.755 . . . . 0.0 109.891 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.7 t -74.27 -19.47 60.48 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.284 -0.885 . . . . 0.0 110.246 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 65' ' ' ASN . 28.3 p -54.57 148.57 12.11 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.728 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -61.99 -22.09 65.39 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.568 -0.707 . . . . 0.0 110.08 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -75.76 -42.66 49.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.414 -0.804 . . . . 0.0 109.388 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.4 t -78.65 -30.7 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.495 -0.753 . . . . 0.0 109.835 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 74.2 m -64.44 -34.98 79.45 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.44 -0.788 . . . . 0.0 109.123 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.8 -25.52 30.35 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -68.24 -31.86 71.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.157 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -120.19 177.47 5.0 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.444 -0.785 . . . . 0.0 109.747 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.41 135.26 42.38 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.286 -0.884 . . . . 0.0 108.632 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -66.07 -27.79 68.34 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.412 -0.805 . . . . 0.0 110.566 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.8 m -78.38 -44.44 24.99 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.066 -1.021 . . . . 0.0 108.864 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.57 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.453 HD21 ' HE1' ' A' ' 21' ' ' MET . 11.4 mt -71.25 -32.87 69.26 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -55.69 -52.38 64.07 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.87 -33.21 75.19 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.719 ' CE2' HD11 ' A' ' 88' ' ' LEU . 19.3 t80 -64.64 -33.18 75.32 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.692 -0.63 . . . . 0.0 109.482 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -72.16 -37.91 69.27 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.326 -0.859 . . . . 0.0 109.367 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -68.33 -39.95 81.75 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.614 -0.679 . . . . 0.0 109.669 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.567 ' HG3' HD11 ' A' ' 17' ' ' LEU . 56.3 mm-40 -72.41 -31.81 65.82 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.283 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.719 HD11 ' CE2' ' A' ' 84' ' ' PHE . 55.0 mt -67.4 -43.08 82.16 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.497 -0.752 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.546 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -77.88 -24.76 48.35 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.361 -0.837 . . . . 0.0 110.127 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -68.37 -49.99 56.25 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -66.39 -27.94 68.24 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 19.9 mt -69.37 -36.38 76.77 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.457 -0.777 . . . . 0.0 109.453 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -69.27 -43.18 74.45 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.336 -0.852 . . . . 0.0 109.23 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -64.52 -43.72 93.16 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.565 -0.709 . . . . 0.0 109.22 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.757 HD23 HG23 ' A' ' 53' ' ' ILE . 77.1 mt -63.26 -34.94 78.76 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.848 -0.532 . . . . 0.0 109.821 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 100' ' ' ILE . 39.3 tt0 -72.16 -39.23 68.87 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.461 -0.775 . . . . 0.0 109.955 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 100' ' ' ILE . . . -52.46 -42.74 64.46 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.673 -0.642 . . . . 0.0 110.109 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.651 ' HB2' HG21 ' A' ' 53' ' ' ILE . 54.4 m -66.94 -41.36 87.13 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.397 -0.814 . . . . 0.0 109.262 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.21 -36.17 74.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 121.659 -0.65 . . . . 0.0 109.821 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 97' ' ' ALA . 93.9 mt -61.12 -51.7 70.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.637 0 O-C-N 121.377 -0.827 . . . . 0.0 109.155 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -74.93 -176.09 2.79 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.623 -0.673 . . . . 0.0 109.458 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.64 0.07 62.04 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.588 HG12 ' HB1' ' A' ' 50' ' ' ALA . 41.1 t -67.02 150.34 11.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 O-C-N 121.201 -1.176 . . . . 0.0 109.024 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.07 -145.79 17.25 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.463 ' HB ' ' HG2' ' A' ' 51' ' ' GLU . 3.2 p -147.07 128.68 6.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 121.216 -1.167 . . . . 0.0 110.236 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.497 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 12.2 p -152.79 112.18 3.86 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 106' ' ' THR . 9.3 mm-40 -172.33 -51.76 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.725 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 2.8 p -70.81 173.29 4.93 Favored Pre-proline 0 C--O 1.216 -0.67 0 O-C-N 121.897 -0.502 . . . . 0.0 110.001 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.725 ' HD2' ' HB ' ' A' ' 108' ' ' THR . 34.3 Cg_endo -60.56 177.33 0.63 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.731 1.621 . . . . 0.0 111.468 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 110' ' ' LEU . 4.4 pp -46.58 -8.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.515 ' C ' ' SD ' ' A' ' 111' ' ' MET . 3.5 ppp? -49.62 -15.82 0.19 Allowed 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.911 -1.118 . . . . 0.0 111.152 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -50.4 -46.9 56.57 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 120.99 -1.068 . . . . 0.0 108.661 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -73.68 -28.4 61.73 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 111' ' ' MET . 28.4 t0 -52.91 -34.22 54.0 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.615 -0.678 . . . . 0.0 110.533 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.562 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 46.4 t -61.47 -48.75 79.68 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.003 -1.061 . . . . 0.0 108.327 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.695 HG12 ' HA ' ' A' ' 55' ' ' VAL . 69.7 mt -64.79 -34.07 67.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 117' ' ' LEU . 63.0 mt -66.73 -30.72 71.02 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.597 -0.69 . . . . 0.0 109.462 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.481 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.49 -44.46 78.46 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.36 -28.62 44.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -68.02 -44.21 77.04 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -67.45 -35.66 79.65 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 126' ' ' ILE . 84.0 t80 -62.36 -50.66 70.7 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.702 -0.624 . . . . 0.0 109.418 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -68.74 -27.75 66.19 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.689 -0.632 . . . . 0.0 110.243 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -64.0 -40.55 96.61 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 tpp85 -68.18 -36.15 79.16 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.793 HD11 ' CE2' ' A' ' 122' ' ' TYR . 62.1 mt -63.25 -38.63 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -64.14 -43.55 94.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.547 -0.721 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.499 HD12 ' HE3' ' A' ' 131' ' ' LYS . 17.1 tp -63.06 -40.06 96.58 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.509 -0.745 . . . . 0.0 109.011 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -57.96 -43.99 86.75 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.331 0.586 . . . . 0.0 109.525 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.497 HD11 HD11 ' A' ' 66' ' ' LEU . 52.7 mt -64.92 -40.38 94.98 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.499 ' HE3' HD12 ' A' ' 128' ' ' LEU . 55.9 mtmt -72.65 -21.98 61.01 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.184 -0.948 . . . . 0.0 109.92 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -48.54 21.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.256 -0.902 . . . . 0.0 109.32 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -82.65 3.07 30.44 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 109.706 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 59.79 39.24 20.97 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.359 -0.838 . . . . 0.0 109.655 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.3 m-85 60.24 52.53 4.89 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.706 -0.621 . . . . 0.0 109.747 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.462 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 18.0 m -77.06 162.7 68.88 Favored Pre-proline 0 C--O 1.218 -0.594 0 O-C-N 121.494 -0.754 . . . . 0.0 109.179 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.9 Cg_endo -69.27 -42.15 4.19 Favored 'Trans proline' 0 C--N 1.348 0.545 0 O-C-N 123.727 1.383 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.9 -35.7 77.16 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.448 -0.783 . . . . 0.0 109.043 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -62.64 -39.32 93.47 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.553 -0.717 . . . . 0.0 109.214 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.476 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 28.9 m95 -72.09 -33.71 68.08 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.496 -0.752 . . . . 0.0 110.091 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.589 ' CG ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -66.3 -40.57 90.08 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.186 -0.946 . . . . 0.0 108.604 178.732 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.707 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.0 t -63.31 -43.81 98.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 139' ' ' ALA . 58.3 t -68.7 -24.96 29.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.437 ' C ' ' HD2' ' A' ' 144' ' ' ARG . 6.1 tmm_? -67.89 -48.6 65.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.279 -0.888 . . . . 0.0 108.704 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.57 75.65 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.47 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 30.2 mm-40 -67.19 -37.35 83.52 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.608 -0.682 . . . . 0.0 109.721 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 143' ' ' VAL . 19.8 mm -74.8 -36.18 38.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 109.192 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.575 ' HA ' HD22 ' A' ' 15' ' ' LEU . 30.9 ttm -62.8 -45.83 90.81 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.401 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 17.2 ttt85 -67.76 -52.48 36.81 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 121.851 -0.53 . . . . 0.0 110.009 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 153' ' ' LEU . 66.8 m -55.7 -45.29 77.87 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.955 -0.466 . . . . 0.0 110.57 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.908 ' HB3' HD21 ' A' ' 15' ' ' LEU . 29.1 t80 -65.53 -34.6 78.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.527 -0.733 . . . . 0.0 109.906 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.3 t -74.1 -31.69 62.9 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.367 -0.833 . . . . 0.0 109.353 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 150' ' ' SER . 46.3 mt -69.87 -37.23 76.02 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.522 -0.736 . . . . 0.0 109.083 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.627 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 48.2 m -73.64 -36.82 65.45 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 109.813 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 11' ' ' SER . 81.5 p -88.35 -3.22 58.88 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.439 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -68.26 -9.03 44.43 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.329 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 43' ' ' PHE . 3.5 mm? -58.44 -20.66 46.8 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 120.956 -1.09 . . . . 0.0 110.822 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.419 ' HG3' ' HG2' ' A' ' 159' ' ' GLU . 1.2 pt20 -61.7 -17.93 57.63 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.098 -1.001 . . . . 0.0 109.983 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 159' ' ' GLU . 6.9 pt-20 -141.21 112.11 7.17 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.247 -0.908 . . . . 0.0 108.864 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.4 p -102.37 -52.4 3.13 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.812 -0.555 . . . . 0.0 109.519 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 161' ' ' LEU . 5.2 tt -98.8 88.64 4.09 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -166.01 -59.27 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.291 -0.881 . . . . 0.0 109.718 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.3 t -105.38 117.39 33.9 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.375 -0.828 . . . . 0.0 109.367 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -162.7 94.22 0.85 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.496 -0.753 . . . . 0.0 109.123 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 118.466 -0.778 . . . . 0.0 109.899 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.803 ' SG ' HD22 ' A' ' 3' ' ' LEU . 16.0 p . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.293 0.568 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.97 72.12 5.47 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.635 -0.666 . . . . 0.0 109.758 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.803 HD22 ' SG ' ' A' ' 1' ' ' CYS . 1.0 OUTLIER -143.44 48.8 1.01 Allowed Pre-proline 0 C--O 1.216 -0.681 0 O-C-N 121.021 -1.05 . . . . 0.0 110.755 178.695 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 3' ' ' LEU . 37.6 Cg_endo -62.81 161.51 28.71 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.028 1.819 . . . . 0.0 110.712 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -105.18 64.59 0.71 Allowed 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.472 -0.768 . . . . 0.0 109.12 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.9 p -138.42 -70.59 0.42 Allowed 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.443 -0.786 . . . . 0.0 109.861 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -122.29 -178.33 3.85 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.189 -0.945 . . . . 0.0 110.143 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.3 p -175.92 127.91 0.23 Allowed 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.7 pt? -148.83 30.2 0.81 Allowed 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.421 -0.799 . . . . 0.0 110.069 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.27 -43.25 7.56 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.628 ' CB ' HG21 ' A' ' 155' ' ' THR . 80.0 p -88.07 -26.87 22.32 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.548 -0.972 . . . . 0.0 110.246 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -63.07 -40.18 96.9 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -74.4 -43.08 57.93 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.463 -0.773 . . . . 0.0 109.951 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.1 m -58.96 -44.94 91.59 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.432 -0.792 . . . . 0.0 109.651 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.89 HD21 ' HB3' ' A' ' 151' ' ' PHE . 81.1 mt -68.25 -33.3 74.13 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.623 -0.673 . . . . 0.0 109.412 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -62.57 -39.46 93.76 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 84' ' ' PHE . 60.9 mt -60.84 -44.76 96.52 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 HD23 ' A' ' 15' ' ' LEU . 73.2 mt -58.95 -38.87 80.02 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.737 -0.602 . . . . 0.0 109.824 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.62 93.77 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.51 -0.744 . . . . 0.0 109.826 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.04 -32.7 74.13 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.467 -0.771 . . . . 0.0 110.228 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.423 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 17.7 mtm -68.09 -29.09 67.94 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.298 -0.876 . . . . 0.0 110.592 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -49.82 111.22 0.48 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.463 -0.773 . . . . 0.0 109.663 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 1.0 OUTLIER -94.35 -38.82 10.79 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.406 0.622 . . . . 0.0 109.444 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.932 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -114.25 170.44 4.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-O 121.575 0.703 . . . . 0.0 110.595 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.5 m -91.51 143.54 26.49 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' O ' HD13 ' A' ' 30' ' ' LEU . 44.0 tp -60.72 -35.92 77.54 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.602 -0.686 . . . . 0.0 109.498 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.715 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 77.8 m-85 -65.76 -38.95 90.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -61.73 -26.87 68.33 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.932 ' SG ' HD12 ' A' ' 24' ' ' ILE . 37.4 m -105.86 51.91 0.74 Allowed 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.566 -0.709 . . . . 0.0 109.767 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.715 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.83 9.0 8.8 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.188 -0.945 . . . . 0.0 109.957 178.464 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -87.65 -28.98 21.52 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.159 -0.963 . . . . 0.0 109.537 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.743 ' O ' HG21 ' A' ' 142' ' ' VAL . 90.4 m-20 -114.55 21.92 14.09 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.608 -0.682 . . . . 0.0 109.864 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 33.2 tpt85 -66.4 108.56 2.41 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.994 -1.066 . . . . 0.0 109.55 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -150.34 140.07 21.72 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.195 0.522 . . . . 0.0 109.762 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -98.76 138.71 35.53 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -85.71 -42.16 14.5 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 109.705 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.33 43.95 1.42 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 58.2 t80 -43.02 134.64 3.01 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 121.693 -0.886 . . . . 0.0 110.456 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.606 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 56.6 Cg_endo -80.93 81.41 2.74 Favored 'Trans proline' 0 C--N 1.356 0.951 0 O-C-N 123.679 1.357 . . . . 0.0 110.871 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.0 OUTLIER -82.45 -19.99 37.84 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.21 -0.931 . . . . 0.0 109.775 179.193 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.0 -31.47 41.15 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.387 -0.821 . . . . 0.0 109.516 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 0.9 OUTLIER -101.38 46.72 0.93 Allowed 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.67 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 10.8 m-85 -148.75 -72.48 0.19 Allowed 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.339 -0.851 . . . . 0.0 109.199 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.9 -34.63 89.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -109.53 151.1 27.21 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.732 -0.864 . . . . 0.0 109.117 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 76.09 15.94 2.33 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.865 -0.522 . . . . 0.0 110.287 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.532 ' O ' HD12 ' A' ' 157' ' ' LEU . 98.4 m-85 -149.44 92.75 1.97 Allowed 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.04 -1.038 . . . . 0.0 108.796 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' H ' ' HG3' ' A' ' 51' ' ' GLU . 94.6 mm-40 -116.35 111.62 20.34 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.173 -0.954 . . . . 0.0 110.54 -177.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? 60.97 105.58 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.278 0.561 . . . . 0.0 111.258 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.773 ' HB2' HD12 ' A' ' 3' ' ' LEU . . . 52.59 66.43 1.22 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.599 -0.688 . . . . 0.0 109.988 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 48' ' ' GLN . 6.5 mm-40 -139.23 -49.83 0.51 Allowed 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.423 -0.798 . . . . 0.0 109.588 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 13.0 t -91.1 5.05 50.51 Favored 'General case' 0 C--O 1.212 -0.915 0 O-C-N 121.81 -0.556 . . . . 0.0 110.175 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.625 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 mt -51.38 -44.62 89.17 Favored Pre-proline 0 C--O 1.213 -0.848 0 O-C-N 121.129 -0.982 . . . . 0.0 110.617 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.5 -31.45 51.06 Favored 'Trans proline' 0 C--N 1.357 0.987 0 O-C-N 123.23 1.121 . . . . 0.0 110.669 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.681 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.8 t -73.75 -42.01 54.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 121.374 -0.829 . . . . 0.0 108.769 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.619 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.8 mt -64.77 -34.57 78.65 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CD2' HD23 ' A' ' 92' ' ' LEU . 59.8 t-80 -64.0 -51.41 64.37 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.639 -0.663 . . . . 0.0 109.489 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -26.85 65.75 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.235 -0.916 . . . . 0.0 109.339 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -67.32 -38.84 85.59 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.656 HG21 ' HG ' ' A' ' 92' ' ' LEU . 7.1 mm -65.38 -33.55 64.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -70.2 -39.09 75.38 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.6 -0.688 . . . . 0.0 109.652 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.46 -43.02 82.09 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.607 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.2 mt -71.95 -27.45 27.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.539 ' HA ' HD13 ' A' ' 88' ' ' LEU . 20.9 t80 -64.74 -44.95 88.49 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.353 -0.842 . . . . 0.0 109.392 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 69' ' ' THR . 67.2 m-20 -77.73 -38.73 46.45 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.833 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.536 HD11 HD11 ' A' ' 130' ' ' LEU . 52.0 tp -58.71 -32.07 68.84 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.695 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.607 ' CE1' HG23 ' A' ' 63' ' ' ILE . 9.2 m-85 -97.22 -25.13 15.39 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.507 -0.745 . . . . 0.0 110.043 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.2 t -73.6 -20.48 60.59 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.317 -0.865 . . . . 0.0 110.172 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 65' ' ' ASN . 31.9 p -54.87 145.94 18.68 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.286 -0.883 . . . . 0.0 109.869 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.8 -26.43 65.74 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.651 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.4 m-20 -70.3 -43.88 69.47 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.459 -0.776 . . . . 0.0 109.416 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.483 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.2 t -75.54 -31.86 60.24 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.472 -0.768 . . . . 0.0 109.796 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.9 m -63.54 -36.59 84.3 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.565 -0.709 . . . . 0.0 109.399 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.25 -25.43 34.1 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.74 -30.74 68.41 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.517 -0.739 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 71.4 m95 -121.65 171.03 9.14 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.427 -0.795 . . . . 0.0 110.036 -178.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 131.21 46.0 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.41 -25.65 68.11 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 121.46 -0.775 . . . . 0.0 110.367 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.6 m -79.67 -44.28 21.19 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.137 -0.977 . . . . 0.0 108.74 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 96.4 mt -62.98 -38.85 92.79 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -71.29 -33.33 69.62 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -55.65 -52.95 62.09 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 83' ' ' LYS . 52.6 mtpt -63.71 -31.81 73.1 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 88' ' ' LEU . 17.2 t80 -68.54 -28.77 67.27 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 121.735 -0.603 . . . . 0.0 109.807 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.483 ' OH ' HD13 ' A' ' 81' ' ' LEU . 25.9 m-85 -77.32 -52.93 8.34 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.025 -1.047 . . . . 0.0 109.236 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.5 m -63.41 -29.42 70.71 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.729 -0.607 . . . . 0.0 109.736 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 90' ' ' GLN . 2.5 tt0 -76.98 -32.91 57.59 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.43 -0.794 . . . . 0.0 109.501 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 84' ' ' PHE . 53.5 mt -70.88 -38.42 73.07 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.473 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 14.0 t80 -77.28 -37.74 52.23 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 110.261 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 87' ' ' GLU . 3.3 pt20 -67.63 -38.19 83.54 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 120.984 -1.073 . . . . 0.0 108.59 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -70.27 -30.25 67.23 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.656 ' HG ' HG21 ' A' ' 60' ' ' ILE . 9.6 mt -67.81 -33.38 74.68 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.31 -40.99 70.45 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.427 -0.796 . . . . 0.0 109.311 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 -40.82 81.69 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.358 -0.838 . . . . 0.0 109.388 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt -65.29 -37.15 86.25 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.642 -0.661 . . . . 0.0 109.304 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 100' ' ' ILE . 88.6 tt0 -73.49 -31.04 63.52 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.667 -0.646 . . . . 0.0 109.77 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.589 ' HA ' HD12 ' A' ' 100' ' ' ILE . . . -53.3 -47.43 69.22 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.595 -0.69 . . . . 0.0 109.787 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 1' ' ' CYS . 88.4 m -60.56 -44.35 96.25 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.452 -0.78 . . . . 0.0 109.249 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.67 -35.93 62.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 O-C-N 121.833 -0.542 . . . . 0.0 109.954 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 97' ' ' ALA . 95.7 mt -58.0 -52.64 55.8 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -78.31 -172.7 2.94 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.76 48.38 3.86 Favored Glycine 0 CA--C 1.533 1.186 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.609 HG11 ' SG ' ' A' ' 1' ' ' CYS . 21.5 t -127.42 154.08 37.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 O-C-N 121.649 -0.912 . . . . 0.0 109.276 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.572 ' H ' ' HB1' ' A' ' 50' ' ' ALA . . . 104.79 -27.37 19.2 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.1 m -134.11 172.89 15.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 O-C-N 121.258 -1.142 . . . . 0.0 109.99 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.3 p -91.29 -163.39 1.03 Allowed 'General case' 0 C--O 1.219 -0.553 0 O-C-N 121.568 -0.708 . . . . 0.0 109.157 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -51.19 -34.09 30.29 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.418 -0.802 . . . . 0.0 109.955 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.6 p -138.97 135.9 17.92 Favored Pre-proline 0 C--O 1.218 -0.587 0 O-C-N 121.334 -0.854 . . . . 0.0 109.049 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.589 ' HB2' ' HG2' ' A' ' 112' ' ' LYS . 38.3 Cg_endo -71.11 103.58 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 O-C-N 123.782 1.411 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 92.5 mt -121.52 -41.55 2.48 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.505 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.4 ptp -93.7 25.8 3.39 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.785 -0.572 . . . . 0.0 110.197 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.589 ' HG2' ' HB2' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -97.4 -27.22 14.57 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.115 -0.991 . . . . 0.0 110.886 -179.241 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -98.86 -50.2 4.29 Favored 'General case' 0 C--O 1.208 -1.082 0 O-C-N 120.81 -1.181 . . . . 0.0 110.747 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -35.7 55.72 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.286 -0.884 . . . . 0.0 111.009 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.565 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 23.4 t -72.66 -46.8 52.08 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.155 -0.965 . . . . 0.0 109.705 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.681 HG12 ' HA ' ' A' ' 55' ' ' VAL . 73.6 mt -67.93 -35.18 71.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 O-C-N 121.433 -0.792 . . . . 0.0 109.053 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 117' ' ' LEU . 2.5 tt -61.31 -37.51 83.48 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.95 75.82 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.445 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 23.0 t -66.01 -23.14 31.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -73.55 -45.2 54.95 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.256 -0.902 . . . . 0.0 110.01 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -74.34 -29.47 61.61 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.445 -0.784 . . . . 0.0 109.427 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 126' ' ' ILE . 4.3 m-85 -76.43 -35.57 58.45 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.469 -0.77 . . . . 0.0 109.619 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -73.65 -31.07 63.31 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.92 -43.08 99.59 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -61.22 -42.15 98.1 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 122' ' ' TYR . 64.5 mt -59.97 -36.89 69.82 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 O-C-N 121.64 -0.663 . . . . 0.0 109.395 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.2 m -65.04 -43.63 91.7 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.513 -0.742 . . . . 0.0 109.459 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.0 mm? -68.08 -30.98 70.3 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.451 -0.781 . . . . 0.0 109.378 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -62.24 -40.5 96.39 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.536 HD11 HD11 ' A' ' 66' ' ' LEU . 75.8 mt -65.71 -46.39 79.15 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.39 -25.04 67.85 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.035 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.75 -50.35 36.96 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.349 -0.845 . . . . 0.0 109.357 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.485 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.2 mptt -82.8 5.09 22.72 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.684 -0.635 . . . . 0.0 109.81 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 61.75 42.09 11.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.504 -0.747 . . . . 0.0 109.793 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 87.5 m-85 57.87 51.31 9.25 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.612 0.72 . . . . 0.0 109.563 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.1 t -76.52 148.96 80.78 Favored Pre-proline 0 C--O 1.215 -0.722 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.96 -30.39 57.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 O-C-N 123.725 1.381 . . . . 0.0 110.748 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -43.71 54.24 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.447 -0.783 . . . . 0.0 108.982 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.89 -33.58 76.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.623 -0.673 . . . . 0.0 109.266 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 11.1 m95 -66.61 -36.34 82.37 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.514 -0.741 . . . . 0.0 109.671 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.5 -31.88 69.16 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.309 -0.869 . . . . 0.0 109.154 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.743 HG21 ' O ' ' A' ' 32' ' ' ASP . 65.3 t -64.09 -41.56 92.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 147' ' ' ILE . 67.6 t -74.07 -24.61 19.42 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.5 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 26.6 ttp85 -68.46 -47.68 66.5 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.195 -0.94 . . . . 0.0 108.719 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 149' ' ' ARG . . . -68.05 -32.17 72.34 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.84 -30.95 62.96 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.617 -0.677 . . . . 0.0 109.975 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.6 mm -78.58 -34.53 17.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.136 -0.977 . . . . 0.0 109.253 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.57 ' HG3' HD22 ' A' ' 15' ' ' LEU . 29.4 ttm -74.7 -37.65 62.57 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.461 ' CZ ' HD11 ' A' ' 153' ' ' LEU . 1.6 tmm_? -73.09 -43.09 62.28 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.539 -0.726 . . . . 0.0 109.275 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.535 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 75.0 m -65.58 -40.54 92.86 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.89 ' HB3' HD21 ' A' ' 15' ' ' LEU . 44.6 t80 -66.7 -40.12 88.36 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -65.21 -37.55 87.64 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.569 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 71.0 mt -64.42 -40.38 95.65 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.602 -0.686 . . . . 0.0 109.312 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.9 m -72.5 -25.84 61.56 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.655 -0.653 . . . . 0.0 110.126 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.628 HG21 ' CB ' ' A' ' 11' ' ' SER . 44.1 p -101.82 2.13 37.93 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -76.69 3.11 12.37 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.217 -0.927 . . . . 0.0 110.742 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.566 HD11 ' O ' ' A' ' 43' ' ' PHE . 4.2 mm? -50.88 -18.93 0.85 Allowed 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.086 -1.009 . . . . 0.0 111.324 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -52.89 -26.88 16.22 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.137 -0.977 . . . . 0.0 110.651 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 159' ' ' GLU . 0.0 OUTLIER -155.54 128.91 8.31 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.01 -1.056 . . . . 0.0 108.992 177.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 34.2 p -156.63 101.25 1.98 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 161' ' ' LEU . 96.7 mt -81.45 -178.68 7.04 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.389 -0.82 . . . . 0.0 109.629 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.6 ptt85 -154.0 81.97 1.14 Allowed 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.304 -0.872 . . . . 0.0 109.611 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 77.5 p -86.14 131.13 34.32 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.326 -0.859 . . . . 0.0 109.431 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -141.52 84.44 1.91 Allowed 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.408 -0.808 . . . . 0.0 109.323 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.894 -1.05 . . . . 0.0 109.48 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.534 0.683 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.68 64.63 1.43 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.416 0.627 . . . . 0.0 109.766 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.626 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.4 mm? -68.91 -56.93 8.43 Favored Pre-proline 0 C--O 1.216 -0.698 0 O-C-N 121.423 -0.798 . . . . 0.0 109.109 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 53.6 Cg_endo -78.74 170.86 17.51 Favored 'Trans proline' 0 C--N 1.353 0.773 0 O-C-N 123.686 1.361 . . . . 0.0 110.079 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -79.59 68.09 5.54 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.375 -0.828 . . . . 0.0 109.422 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -127.13 4.98 6.42 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.424 -0.798 . . . . 0.0 110.293 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -176.47 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.25 -0.906 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 m -139.36 -153.97 0.5 Allowed 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.572 -0.705 . . . . 0.0 109.506 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.692 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -130.73 86.93 2.43 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.152 -0.967 . . . . 0.0 109.541 -179.291 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.89 -40.07 5.99 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.637 ' HB2' HG21 ' A' ' 155' ' ' THR . 74.7 p -66.98 -29.64 69.54 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.493 -1.004 . . . . 0.0 110.11 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.56 ' HD3' HD12 ' A' ' 9' ' ' LEU . 80.2 ttt180 -64.35 -37.76 88.66 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.381 -0.825 . . . . 0.0 109.639 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -75.99 -40.11 54.41 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.36 -0.838 . . . . 0.0 109.941 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.7 m -62.75 -42.22 99.57 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.324 -0.86 . . . . 0.0 109.51 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 18' ' ' LEU . 46.9 mt -69.68 -32.82 71.66 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.566 -0.708 . . . . 0.0 109.156 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.7 ttp -64.35 -37.03 86.05 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 84' ' ' PHE . 94.3 mt -64.31 -39.52 94.09 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.658 ' HG ' ' CE2' ' A' ' 84' ' ' PHE . 12.3 mt -59.26 -36.63 75.85 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.78 73.58 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.48 -0.762 . . . . 0.0 109.92 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -66.0 -43.42 87.78 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.019 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.574 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 28.2 mtm -64.53 -27.42 68.96 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.413 -0.804 . . . . 0.0 110.111 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.07 98.79 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.382 0.61 . . . . 0.0 109.852 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -84.35 -43.54 14.64 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.917 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.7 pt -108.83 168.37 3.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-O 121.372 0.606 . . . . 0.0 109.552 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.8 m -100.59 157.45 16.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.548 -0.72 . . . . 0.0 109.705 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD11 ' HG3' ' A' ' 33' ' ' ARG . 61.5 tp -65.12 -29.67 70.54 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HA ' ' CG ' ' A' ' 30' ' ' LEU . 90.8 m-85 -67.37 -37.54 83.34 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -67.63 -30.07 69.55 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.389 -0.819 . . . . 0.0 108.975 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.917 ' SG ' HD12 ' A' ' 24' ' ' ILE . 60.3 m -112.36 54.26 0.71 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.541 -0.724 . . . . 0.0 109.985 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 75.6 mt -86.79 1.21 53.05 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.952 -1.093 . . . . 0.0 110.49 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 27.3 tptp -84.22 -29.76 26.29 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.19 -0.944 . . . . 0.0 109.527 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' HA ' ' A' ' 139' ' ' ALA . 2.1 p-10 -107.58 16.19 24.0 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.47 -0.769 . . . . 0.0 110.777 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' HD11 ' A' ' 26' ' ' LEU . 23.3 ttm180 -71.99 119.06 15.64 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 120.604 -1.31 . . . . 0.0 109.676 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -137.8 129.35 28.15 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.3 113.68 6.86 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.51 -0.744 . . . . 0.0 109.243 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 76.3 m-85 -71.82 -42.16 67.34 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.541 -0.725 . . . . 0.0 109.254 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.45 61.85 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.627 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 69.3 t80 -70.06 128.48 91.58 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.467 -1.019 . . . . 0.0 108.543 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.4 Cg_endo -77.83 64.62 8.22 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 O-C-N 123.718 1.378 . . . . 0.0 111.13 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.719 ' HG3' HD22 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -72.35 -21.0 61.37 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.304 178.282 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.45 -33.51 65.96 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.379 -0.825 . . . . 0.0 108.929 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 47' ' ' PHE . 15.6 tt0 -97.66 29.9 3.16 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.406 -0.809 . . . . 0.0 109.21 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 5.0 m-85 -135.09 45.85 2.48 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 157' ' ' LEU . . . -153.8 -79.04 0.02 OUTLIER Glycine 0 C--O 1.217 -0.935 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -74.81 130.52 39.59 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.913 -0.757 . . . . 0.0 109.222 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 72.47 23.49 3.12 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.918 -0.489 . . . . 0.0 109.932 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.635 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 79.0 m-85 -145.02 33.01 1.11 Allowed 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.097 -1.002 . . . . 0.0 109.549 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -131.93 39.68 3.42 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.315 -0.865 . . . . 0.0 109.922 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -161.57 63.4 0.26 Allowed 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.343 -0.848 . . . . 0.0 108.727 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.24 33.74 23.44 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.599 -0.688 . . . . 0.0 109.416 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 36.9 mt-10 -108.08 -40.63 5.15 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.418 -0.801 . . . . 0.0 109.817 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.635 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 5.6 t -94.89 3.92 54.41 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.746 -0.596 . . . . 0.0 110.611 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.663 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 47.5 mt -58.3 -41.98 92.38 Favored Pre-proline 0 C--O 1.213 -0.861 0 O-C-N 120.94 -1.1 . . . . 0.0 109.96 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -66.09 -29.17 48.43 Favored 'Trans proline' 0 C--N 1.358 1.03 0 O-C-N 123.131 1.069 . . . . 0.0 110.221 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.653 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.46 -41.65 49.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.591 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 43.4 mt -65.39 -37.19 86.24 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -61.89 -47.95 82.66 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.675 -0.641 . . . . 0.0 109.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.951 ' HG3' HD13 ' A' ' 116' ' ' ILE . 61.2 mm-40 -69.63 -28.51 65.97 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.532 -0.73 . . . . 0.0 109.539 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 ttt -68.19 -36.79 80.13 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.372 -0.83 . . . . 0.0 109.068 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.736 HG21 ' HG ' ' A' ' 92' ' ' LEU . 9.0 mm -67.7 -37.61 78.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -71.35 -34.59 70.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.53 -0.731 . . . . 0.0 109.74 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -69.8 -43.89 71.19 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.33 -0.856 . . . . 0.0 109.223 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 67' ' ' PHE . 91.7 mt -69.27 -29.8 43.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.683 ' HA ' HD13 ' A' ' 88' ' ' LEU . 55.8 t80 -61.99 -43.93 97.8 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.389 -0.819 . . . . 0.0 109.821 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 69' ' ' THR . 53.9 t30 -78.17 -39.55 40.54 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.53 -0.732 . . . . 0.0 109.865 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 130' ' ' LEU . 40.5 tp -60.0 -30.36 69.09 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.371 -0.831 . . . . 0.0 109.606 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 63' ' ' ILE . 7.3 m-85 -98.11 -15.76 19.83 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.572 -0.705 . . . . 0.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.9 t -85.03 -17.26 38.06 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.154 -0.966 . . . . 0.0 109.651 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 65' ' ' ASN . 7.0 p -54.83 147.82 14.32 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.432 -0.792 . . . . 0.0 110.214 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.01 -24.57 67.98 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.59 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.62 -38.27 55.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.528 -0.732 . . . . 0.0 109.511 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.525 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 87.7 p -78.05 -32.23 50.75 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.489 -0.757 . . . . 0.0 109.79 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 69.4 m -66.75 -35.53 80.31 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.678 -0.638 . . . . 0.0 109.494 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.86 36.81 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.6 -0.687 . . . . 0.0 109.152 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.69 67.87 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.524 -0.735 . . . . 0.0 110.33 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.499 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 77.7 m95 -111.05 174.08 6.03 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.633 -0.667 . . . . 0.0 110.055 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.26 131.05 44.67 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -63.95 -28.28 69.71 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.381 -0.824 . . . . 0.0 110.39 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.8 m -76.65 -45.39 30.08 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.269 -0.894 . . . . 0.0 108.92 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.574 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 91.6 mt -63.21 -38.5 91.4 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.56 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 9.7 mt -69.47 -32.96 72.19 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.97 -49.49 75.56 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' HE2' ' N ' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -65.5 -30.06 70.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.383 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -64.83 -41.75 95.49 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.391 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.24 -37.61 85.92 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 109.409 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -38.63 81.48 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.627 -0.67 . . . . 0.0 109.835 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.423 ' HG3' HD11 ' A' ' 17' ' ' LEU . 64.8 mm-40 -74.29 -27.42 60.72 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.683 HD13 ' HA ' ' A' ' 64' ' ' PHE . 71.5 mt -74.17 -40.32 62.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.405 -0.81 . . . . 0.0 109.341 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -36.49 61.76 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.383 -0.823 . . . . 0.0 110.237 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -73.3 -42.65 62.15 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.216 -0.927 . . . . 0.0 109.374 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.63 -27.73 67.92 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.414 -0.804 . . . . 0.0 108.924 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.736 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.5 mt -66.41 -48.15 70.97 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.75 -40.31 87.7 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.808 -0.557 . . . . 0.0 109.818 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.21 -45.74 86.95 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.263 -0.898 . . . . 0.0 108.673 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.427 HD12 HG13 ' A' ' 60' ' ' ILE . 57.8 mt -61.03 -30.29 70.22 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 100' ' ' ILE . 92.5 mt-10 -73.11 -31.46 64.34 Favored 'General case' 0 C--O 1.209 -1.049 0 O-C-N 121.589 -0.695 . . . . 0.0 109.776 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.55 -52.23 10.75 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.816 -0.553 . . . . 0.0 110.587 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 85.2 m -60.14 -46.11 90.77 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.305 -0.872 . . . . 0.0 108.782 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.22 -32.9 51.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 121.778 -0.576 . . . . 0.0 110.43 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 96' ' ' GLU . 21.7 mm -61.92 -55.12 26.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 O-C-N 121.125 -0.984 . . . . 0.0 109.195 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -75.36 177.25 6.74 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.647 -0.658 . . . . 0.0 109.633 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.99 -30.03 76.2 Favored Glycine 0 CA--C 1.536 1.368 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 3' ' ' LEU . 2.5 m -60.09 101.73 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 O-C-N 121.53 -0.983 . . . . 0.0 109.949 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.16 -125.45 0.77 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.648 HG21 ' HG3' ' A' ' 54' ' ' PRO . 37.2 t -134.04 29.08 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 121.634 -0.921 . . . . 0.0 109.764 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 21.5 p -87.84 110.03 20.2 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 120.946 -1.096 . . . . 0.0 110.032 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 106' ' ' THR . 38.4 mt-10 -162.46 -68.47 0.05 Allowed 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 p -148.34 132.05 8.42 Favored Pre-proline 0 C--O 1.216 -0.668 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.422 ' HB3' ' HD3' ' A' ' 112' ' ' LYS . 40.8 Cg_endo -75.64 95.4 1.01 Allowed 'Trans proline' 0 C--O 1.218 -0.493 0 O-C-N 123.587 1.309 . . . . 0.0 111.948 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 110' ' ' LEU . 2.5 pt? -122.55 -44.23 2.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.005 176.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.616 ' N ' ' HG ' ' A' ' 110' ' ' LEU . 5.1 ptm -121.16 22.63 10.86 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.608 -0.683 . . . . 0.0 109.504 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 62.3 pttt -55.89 -39.18 71.19 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.299 -0.876 . . . . 0.0 109.664 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 35.4 tt0 -120.12 -7.09 9.91 Favored 'General case' 0 C--O 1.204 -1.329 0 O-C-N 121.49 -0.756 . . . . 0.0 110.112 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.17 -50.75 70.58 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 120.695 -1.253 . . . . 0.0 110.218 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.447 ' OG ' HG22 ' A' ' 55' ' ' VAL . 2.4 p -65.5 -45.88 81.86 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.963 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.951 HD13 ' HG3' ' A' ' 58' ' ' GLU . 68.0 mt -68.11 -28.02 39.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 121.509 -0.744 . . . . 0.0 109.292 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 117' ' ' LEU . 9.3 tt -68.52 -35.8 77.98 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.552 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.41 -47.18 80.14 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.17 -24.5 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -70.75 -43.75 68.19 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.33 -0.856 . . . . 0.0 109.72 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -73.14 -30.55 63.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.415 -0.803 . . . . 0.0 108.941 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.547 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 45.8 t80 -65.32 -49.17 70.45 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -69.95 -29.76 66.97 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.689 -0.632 . . . . 0.0 110.003 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -61.19 -42.96 99.5 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' A' ' 125' ' ' ARG . 22.0 tpp180 -66.12 -38.1 87.34 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.705 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 58.4 mt -60.21 -37.22 72.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 O-C-N 121.57 -0.706 . . . . 0.0 109.186 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -36.94 80.47 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.487 -0.758 . . . . 0.0 109.25 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 128' ' ' LEU . 23.6 tp -64.87 -47.25 78.57 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.438 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 24.4 t80 -59.56 -36.42 76.17 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.61 -0.681 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.418 ' CD1' HD11 ' A' ' 66' ' ' LEU . 60.0 mt -67.16 -41.86 85.28 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.06 -19.25 60.67 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.327 -0.858 . . . . 0.0 109.713 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.5 -48.04 20.8 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.31 -0.869 . . . . 0.0 109.174 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -84.46 3.14 37.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.783 -0.573 . . . . 0.0 109.657 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 3.7 mptp? 60.21 39.56 19.08 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 63.13 52.77 2.43 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.873 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.1 m -77.5 163.53 63.48 Favored Pre-proline 0 C--O 1.217 -0.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.273 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.89 -43.47 3.45 Favored 'Trans proline' 0 C--O 1.216 -0.583 0 O-C-N 123.784 1.413 . . . . 0.0 111.026 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.65 -38.42 80.44 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.372 -0.83 . . . . 0.0 108.83 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.45 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . . . -59.8 -39.71 85.9 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.597 -0.689 . . . . 0.0 109.407 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.525 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.5 m95 -71.31 -31.89 67.96 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.513 -0.742 . . . . 0.0 109.976 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 24' ' ' ILE . 14.4 tm-20 -66.18 -48.33 71.07 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.316 -0.865 . . . . 0.0 109.085 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.19 -40.8 87.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.066 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 126' ' ' ILE . 70.7 t -68.06 -31.38 51.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 121.625 -0.672 . . . . 0.0 109.478 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 23.7 ttp85 -67.38 -47.22 71.0 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.45 -0.782 . . . . 0.0 109.122 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.24 72.31 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -73.22 -31.5 64.19 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.777 -0.577 . . . . 0.0 109.844 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 143' ' ' VAL . 19.6 mm -79.01 -34.11 16.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.289 -0.882 . . . . 0.0 109.6 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.53 ' HA ' HD13 ' A' ' 18' ' ' LEU . 27.3 ttm -73.26 -37.01 66.47 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -72.49 -48.54 39.83 Favored 'General case' 0 C--O 1.209 -1.041 0 O-C-N 121.69 -0.631 . . . . 0.0 109.357 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.627 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 88.9 p -63.76 -38.32 90.67 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.795 -0.565 . . . . 0.0 109.75 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.621 ' HB3' HD21 ' A' ' 15' ' ' LEU . 21.9 t80 -72.06 -37.43 69.65 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.493 -0.754 . . . . 0.0 109.8 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 87.7 p -69.22 -35.63 76.39 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 108.742 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.719 HD22 ' HG3' ' A' ' 40' ' ' GLN . 45.3 mt -64.39 -39.15 93.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.591 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 73.8 m -72.43 -30.1 64.31 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.69 -0.631 . . . . 0.0 110.198 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.637 HG21 ' HB2' ' A' ' 11' ' ' SER . 80.4 p -98.09 0.9 46.99 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.376 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -85.63 1.71 48.1 Favored 'General case' 0 C--O 1.212 -0.918 0 O-C-N 121.04 -1.037 . . . . 0.0 110.301 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 154' ' ' SER . 4.5 mm? -51.47 -36.56 44.81 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.168 -0.958 . . . . 0.0 110.595 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.596 ' HG3' ' HG2' ' A' ' 159' ' ' GLU . 22.7 pt20 -73.91 -30.47 62.6 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.408 -0.807 . . . . 0.0 110.391 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.596 ' HG2' ' HG3' ' A' ' 158' ' ' GLN . 8.0 mm-40 -99.01 0.14 43.24 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.241 -0.912 . . . . 0.0 110.816 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 46.9 m -85.84 72.16 10.55 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.299 -0.876 . . . . 0.0 109.594 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.32 178.5 2.36 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.551 -0.718 . . . . 0.0 109.082 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -91.24 -101.2 0.11 Allowed 'General case' 0 C--O 1.216 -0.659 0 O-C-N 120.973 -1.079 . . . . 0.0 109.298 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 64.9 p 179.45 177.14 0.59 Allowed 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.227 -0.921 . . . . 0.0 109.556 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -124.68 50.33 1.73 Allowed 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.484 -0.76 . . . . 0.0 108.994 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 CA--C 1.535 0.365 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.556 -179.773 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.612 ' CB ' HG21 ' A' ' 103' ' ' VAL . 25.1 p . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.465 0.65 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.656 ' C ' HD12 ' A' ' 3' ' ' LEU . 37.3 m-20 -138.4 86.98 2.2 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.677 ' HB2' ' CD ' ' A' ' 4' ' ' PRO . 7.7 mp -123.94 -73.39 0.01 OUTLIER Pre-proline 0 C--O 1.215 -0.713 0 O-C-N 121.566 -0.708 . . . . 0.0 109.563 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.677 ' CD ' ' HB2' ' A' ' 3' ' ' LEU . 43.6 Cg_endo -69.21 145.31 59.9 Favored 'Trans proline' 0 C--N 1.357 1.0 0 O-C-N 123.208 1.109 . . . . 0.0 110.333 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -86.94 66.01 9.23 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.3 p -148.01 65.65 1.1 Allowed 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.6 167.79 19.98 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.333 -0.854 . . . . 0.0 109.583 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 p 179.43 169.27 1.07 Allowed 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.694 -0.629 . . . . 0.0 109.456 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 tp -117.78 104.99 11.5 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.71 -25.53 13.26 Favored Glycine 0 C--O 1.212 -1.243 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -63.3 -37.7 88.27 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.299 -1.118 . . . . 0.0 109.977 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -71.77 -36.59 70.41 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.397 -0.814 . . . . 0.0 109.476 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 32.0 mmt180 -75.19 -36.61 61.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.561 -0.712 . . . . 0.0 109.727 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.465 HG23 ' CE1' ' A' ' 84' ' ' PHE . 94.3 m -69.14 -45.68 69.52 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.313 -0.867 . . . . 0.0 109.377 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 151' ' ' PHE . 88.4 mt -68.99 -37.97 79.05 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.709 -0.62 . . . . 0.0 110.41 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.499 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 18.1 ptm -66.39 -30.99 71.49 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.0 -1.063 . . . . 0.0 109.225 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 84' ' ' PHE . 49.8 mt -66.35 -40.9 90.11 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 15' ' ' LEU . 78.2 mt -60.66 -35.89 77.33 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.709 -0.619 . . . . 0.0 109.464 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.24 75.81 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.563 -0.711 . . . . 0.0 109.645 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -65.83 -33.38 75.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.465 -0.772 . . . . 0.0 109.941 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.8 mtp -63.86 -35.59 81.14 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.515 -0.74 . . . . 0.0 109.532 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -48.89 113.16 0.73 Allowed 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.846 -0.534 . . . . 0.0 109.988 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -96.35 -36.18 10.95 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.615 -0.678 . . . . 0.0 109.36 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.934 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.3 pt -113.31 170.53 4.31 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 CA-C-O 121.522 0.677 . . . . 0.0 109.844 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.0 m -96.13 148.97 22.13 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.652 -0.655 . . . . 0.0 109.235 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -64.44 -31.51 72.75 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -68.4 -38.02 80.89 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -66.1 -28.15 68.59 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.934 ' SG ' HD12 ' A' ' 24' ' ' ILE . 20.3 m -108.71 50.21 0.79 Allowed 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.456 -0.777 . . . . 0.0 110.112 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -82.38 -0.99 48.48 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.203 -0.936 . . . . 0.0 109.825 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -79.27 -24.02 43.24 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.436 -0.79 . . . . 0.0 109.181 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.698 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.6 m-20 -112.41 25.82 11.14 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.679 -0.638 . . . . 0.0 109.91 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.5 123.18 16.58 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.111 -0.993 . . . . 0.0 109.21 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -151.86 126.53 9.54 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.527 -0.733 . . . . 0.0 109.041 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -91.67 114.24 26.72 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.673 ' CE1' ' HA ' ' A' ' 126' ' ' ILE . 79.7 m-85 -69.41 -43.72 72.84 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.529 -0.732 . . . . 0.0 110.267 -178.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.53 66.45 0.67 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 150' ' ' SER . 82.4 t80 -65.42 128.51 93.86 Favored Pre-proline 0 C--O 1.217 -0.623 0 O-C-N 121.662 -0.905 . . . . 0.0 108.834 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.643 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 53.0 Cg_endo -75.57 68.74 6.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.678 1.357 . . . . 0.0 110.827 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.572 ' OE1' HD22 ' A' ' 153' ' ' LEU . 20.2 tt0 -71.42 -17.07 62.41 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.415 -0.803 . . . . 0.0 109.662 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.5 -29.44 64.31 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.34 -0.85 . . . . 0.0 109.0 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.587 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.0 tp10 -99.69 31.44 3.21 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.413 -0.805 . . . . 0.0 109.284 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 38.7 m-85 -142.69 44.01 1.6 Allowed 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.338 -0.851 . . . . 0.0 109.083 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.73 -93.53 0.16 Allowed Glycine 0 C--O 1.216 -0.984 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -72.04 143.04 49.26 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.823 -0.81 . . . . 0.0 109.013 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 68.42 21.4 8.26 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.638 ' HB3' HG23 ' A' ' 52' ' ' THR . 60.3 m-85 -144.87 137.83 26.57 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.136 -0.977 . . . . 0.0 109.355 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.411 ' HG3' ' H ' ' A' ' 50' ' ' ALA . 16.9 pt20 -163.41 -153.52 0.24 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.599 -0.688 . . . . 0.0 109.152 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' O ' HD11 ' A' ' 53' ' ' ILE . 14.6 mptt -78.3 8.15 5.42 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.027 -1.046 . . . . 0.0 111.187 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' H ' ' HG3' ' A' ' 48' ' ' GLN . . . -139.88 12.67 2.46 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.008 -1.057 . . . . 0.0 110.387 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 50.4 mt-10 -125.21 -42.1 2.02 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 121.002 -1.061 . . . . 0.0 109.674 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.638 HG23 ' HB3' ' A' ' 47' ' ' PHE . 36.3 p -86.04 -1.28 57.21 Favored 'General case' 0 C--O 1.205 -1.289 0 O-C-N 121.666 -0.646 . . . . 0.0 110.331 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.794 HG21 ' HB2' ' A' ' 98' ' ' CYS . 36.2 mt -46.69 -50.86 40.81 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 120.946 -1.096 . . . . 0.0 111.014 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.97 -31.86 45.86 Favored 'Trans proline' 0 C--N 1.354 0.828 0 O-C-N 123.258 1.136 . . . . 0.0 110.252 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.631 HG11 ' CZ ' ' A' ' 43' ' ' PHE . 46.3 t -70.47 -47.22 66.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.583 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 35.0 mt -62.36 -31.44 72.09 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -66.01 -46.99 75.93 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.445 -0.784 . . . . 0.0 109.658 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 116' ' ' ILE . 30.1 tp10 -72.34 -30.15 64.48 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.304 -0.873 . . . . 0.0 109.842 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.7 ttt -67.27 -48.05 68.87 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.279 -0.888 . . . . 0.0 108.982 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.77 HG23 ' CD2' ' A' ' 88' ' ' LEU . 16.8 mt -71.81 -21.31 20.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.669 -0.644 . . . . 0.0 109.42 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -74.84 -36.09 62.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.66 -33.94 64.7 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 67' ' ' PHE . 82.5 mt -74.98 -29.09 21.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.631 ' HA ' HD13 ' A' ' 88' ' ' LEU . 23.1 t80 -64.94 -49.39 70.54 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 121.406 -0.809 . . . . 0.0 109.464 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.692 ' O ' HG23 ' A' ' 69' ' ' THR . 7.2 m120 -79.04 -32.21 44.88 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.534 -0.729 . . . . 0.0 109.745 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 130' ' ' LEU . 49.6 tp -61.89 -32.24 72.6 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.514 -0.742 . . . . 0.0 109.364 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 63' ' ' ILE . 16.8 m-85 -97.9 -25.1 15.12 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.611 -0.681 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.0 t -75.72 -20.09 58.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.295 -0.878 . . . . 0.0 109.835 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 65' ' ' ASN . 7.3 p -54.05 148.56 10.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.402 -0.811 . . . . 0.0 109.799 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.73 -26.53 68.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.609 -0.682 . . . . 0.0 109.817 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.1 p30 -73.76 -26.32 60.59 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.589 -0.695 . . . . 0.0 110.013 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' A' ' 67' ' ' PHE . 23.0 t -94.12 -31.92 13.97 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.214 -0.929 . . . . 0.0 109.495 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 67.2 m -63.47 -34.51 77.93 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.247 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.9 -27.35 33.45 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.39 85.28 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.586 -0.696 . . . . 0.0 110.029 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 23' ' ' LYS . 70.0 m95 -111.98 172.59 6.81 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.725 -0.609 . . . . 0.0 109.932 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.62 132.22 47.11 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -65.1 -28.29 69.34 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.495 -0.753 . . . . 0.0 110.619 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.7 m -79.24 -43.73 23.18 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.079 -1.013 . . . . 0.0 108.996 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.6 -35.66 81.25 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.8 mt -72.87 -33.48 66.11 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -55.81 -52.38 64.2 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -63.98 -34.27 77.6 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.779 ' CE2' HD11 ' A' ' 88' ' ' LEU . 27.2 t80 -65.05 -31.19 72.29 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.751 -0.593 . . . . 0.0 109.773 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -73.19 -37.68 66.41 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.165 -0.959 . . . . 0.0 108.753 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.2 m -69.62 -35.69 75.48 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.509 -0.744 . . . . 0.0 109.768 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -73.63 -34.23 64.9 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 84' ' ' PHE . 77.1 mt -68.96 -44.2 73.43 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.644 -0.66 . . . . 0.0 109.654 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.539 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.3 t80 -74.94 -27.32 60.15 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.577 -0.702 . . . . 0.0 109.795 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -68.59 -50.48 51.3 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -66.14 -30.05 70.47 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 15.0 mt -68.33 -34.22 75.71 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.42 -0.8 . . . . 0.0 109.35 178.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -68.75 -42.16 77.91 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.454 -0.779 . . . . 0.0 109.076 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.56 -41.42 84.24 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.517 -0.739 . . . . 0.0 109.337 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 99' ' ' VAL . 79.8 mt -63.67 -33.18 75.05 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.724 -0.61 . . . . 0.0 109.705 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 100' ' ' ILE . 87.0 tt0 -74.17 -46.11 44.35 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 121.482 -0.761 . . . . 0.0 109.905 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.79 -42.01 57.58 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.693 -0.629 . . . . 0.0 109.978 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.794 ' HB2' HG21 ' A' ' 53' ' ' ILE . 76.3 m -62.76 -45.59 91.99 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 121.612 0.72 . . . . 0.0 109.17 177.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 95' ' ' LEU . 80.9 t -65.36 -35.97 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 O-C-N 121.927 -0.483 . . . . 0.0 110.814 -178.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 96' ' ' GLU . 76.7 mt -57.59 -53.89 38.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 O-C-N 121.27 -0.894 . . . . 0.0 109.958 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.641 ' HG3' ' CD2' ' A' ' 3' ' ' LEU . 21.1 mm100 -78.49 -177.52 5.33 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 121.386 -0.821 . . . . 0.0 110.111 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.36 52.84 0.95 Allowed Glycine 0 C--O 1.216 -1.002 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.612 HG21 ' CB ' ' A' ' 1' ' ' CYS . 46.6 t -61.65 162.77 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 121.555 -0.968 . . . . 0.0 108.803 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.471 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -54.63 96.04 0.03 OUTLIER Glycine 0 CA--C 1.533 1.206 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.9 t -141.57 149.88 19.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 O-C-N 121.69 -0.889 . . . . 0.0 108.938 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.1 p -85.37 157.41 20.52 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 121.267 -0.895 . . . . 0.0 109.995 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -144.11 -47.48 0.27 Allowed 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.545 -0.722 . . . . 0.0 109.741 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.588 ' N ' ' HD2' ' A' ' 109' ' ' PRO . 34.2 m -53.58 -48.64 92.38 Favored Pre-proline 0 CA--C 1.543 0.7 0 O-C-N 121.683 -0.636 . . . . 0.0 110.946 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 108' ' ' THR . 39.6 Cg_endo -66.68 155.82 68.64 Favored 'Trans proline' 0 C--N 1.355 0.887 0 O-C-N 123.408 1.215 . . . . 0.0 111.099 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.518 ' N ' HD22 ' A' ' 110' ' ' LEU . 3.9 mm? -78.26 -8.82 58.82 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.634 -0.666 . . . . 0.0 110.524 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.546 ' HA ' ' HB3' ' A' ' 114' ' ' ASP . 23.2 ptm -51.9 -30.49 24.37 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.218 -0.926 . . . . 0.0 110.557 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -52.11 -55.32 21.55 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.427 -0.796 . . . . 0.0 109.835 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 33.1 tt0 -88.35 -27.53 21.59 Favored 'General case' 0 C--O 1.209 -1.079 0 O-C-N 121.476 -0.765 . . . . 0.0 110.062 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.546 ' HB3' ' HA ' ' A' ' 111' ' ' MET . 35.7 t0 -58.55 -49.12 78.57 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.216 -0.928 . . . . 0.0 110.233 -178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.587 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 12.7 p -62.55 -43.64 98.32 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.384 -0.823 . . . . 0.0 109.926 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.615 HG12 ' HA ' ' A' ' 55' ' ' VAL . 64.6 mt -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.577 -0.702 . . . . 0.0 109.137 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 117' ' ' LEU . 2.8 tt -65.48 -34.92 79.4 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.75 -48.7 70.98 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.8 t -65.31 -26.76 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 120' ' ' ARG . 7.3 tmm_? -68.08 -48.48 65.43 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.26 -0.9 . . . . 0.0 109.711 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 118' ' ' ALA . 21.9 pttp -69.46 -25.46 64.1 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.247 -0.908 . . . . 0.0 109.345 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.729 ' CE2' HD11 ' A' ' 126' ' ' ILE . 76.2 t80 -67.87 -52.6 34.69 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.451 -0.781 . . . . 0.0 109.118 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.411 ' HA ' HD12 ' A' ' 126' ' ' ILE . 28.0 m-85 -67.87 -27.13 66.41 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.639 -0.663 . . . . 0.0 109.783 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.33 -42.72 99.0 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -64.88 -36.77 85.42 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.729 HD11 ' CE2' ' A' ' 122' ' ' TYR . 61.8 mt -64.53 -37.93 81.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 121.476 -0.765 . . . . 0.0 109.419 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 21.7 m -66.94 -40.86 87.69 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.497 -0.752 . . . . 0.0 109.903 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 128' ' ' LEU . 4.3 mm? -71.39 -35.47 71.05 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.454 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 46.1 t80 -64.41 -39.68 94.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.324 -0.86 . . . . 0.0 108.938 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.53 HD22 ' CE2' ' A' ' 140' ' ' TRP . 41.9 mt -65.21 -44.57 87.9 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.3 -23.68 63.84 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.257 -0.902 . . . . 0.0 109.816 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.37 -48.38 50.46 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.323 -0.861 . . . . 0.0 109.141 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.434 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.5 mptt -82.77 2.76 32.36 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.877 -0.514 . . . . 0.0 109.809 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? 61.86 37.82 15.09 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.871 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 68.9 m-85 60.6 51.87 4.83 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.664 -0.647 . . . . 0.0 110.042 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.448 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -80.07 161.73 64.54 Favored Pre-proline 0 C--O 1.218 -0.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.455 ' O ' HD11 ' A' ' 24' ' ' ILE . 42.5 Cg_endo -68.72 -35.43 16.41 Favored 'Trans proline' 0 C--O 1.217 -0.568 0 O-C-N 123.761 1.401 . . . . 0.0 110.978 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.36 -38.54 68.52 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.388 -0.82 . . . . 0.0 109.065 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.434 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.13 -39.07 93.24 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.53 ' CE2' HD22 ' A' ' 130' ' ' LEU . 31.4 m95 -70.02 -32.88 71.25 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.57 -0.707 . . . . 0.0 109.742 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -63.52 -40.57 97.39 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.324 -0.86 . . . . 0.0 108.932 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.698 HG21 ' O ' ' A' ' 32' ' ' ASP . 59.8 t -65.24 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 147' ' ' ILE . 98.7 t -69.87 -23.52 25.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 121.735 -0.603 . . . . 0.0 109.681 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.489 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 3.7 tmm_? -70.87 -48.28 54.7 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.147 -0.97 . . . . 0.0 108.728 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.423 ' HB2' ' NH2' ' A' ' 144' ' ' ARG . . . -67.66 -32.12 72.58 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.66 -0.65 . . . . 0.0 109.299 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -74.3 -31.46 62.5 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.9 mm -81.0 -32.06 12.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 121.092 -1.005 . . . . 0.0 109.683 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 29.0 ttm -73.95 -38.98 64.07 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 149' ' ' ARG . 0.9 OUTLIER -71.07 -49.69 41.92 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.715 -0.616 . . . . 0.0 109.421 179.34 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.3 m -59.94 -44.57 94.3 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.773 ' HB3' HD21 ' A' ' 15' ' ' LEU . 28.9 t80 -62.81 -42.21 99.62 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.526 -0.734 . . . . 0.0 109.177 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 28.1 t -63.84 -34.1 77.18 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.461 -0.774 . . . . 0.0 109.381 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.572 HD22 ' OE1' ' A' ' 40' ' ' GLN . 84.7 mt -69.74 -37.15 76.38 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.691 -0.63 . . . . 0.0 109.563 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 11.1 m -70.27 -25.72 63.48 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.584 -0.697 . . . . 0.0 109.835 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.509 HG21 ' CE1' ' A' ' 151' ' ' PHE . 69.2 p -104.19 1.39 30.58 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.464 -0.773 . . . . 0.0 109.726 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 152' ' ' SER . 43.8 t30 -81.39 3.41 24.52 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.189 -0.945 . . . . 0.0 110.57 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 47' ' ' PHE . 4.1 mm? -54.56 -10.02 0.38 Allowed 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.09 -1.006 . . . . 0.0 111.712 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -55.04 -27.14 42.34 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.038 -1.039 . . . . 0.0 110.212 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.35 -13.64 51.72 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.651 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.539 ' O ' ' C ' ' A' ' 161' ' ' LEU . 32.2 t -66.64 -11.52 54.08 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.342 -0.849 . . . . 0.0 110.274 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' A' ' 160' ' ' SER . 94.6 mt 1.26 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.341 0.656 . . . . 0.0 112.341 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -120.62 51.79 1.21 Allowed 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.8 p -86.14 103.49 14.84 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 121.473 -0.767 . . . . 0.0 108.984 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -92.05 60.06 3.71 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.457 -0.777 . . . . 0.0 109.26 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.264 -179.784 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.632 ' HB2' HG21 ' A' ' 103' ' ' VAL . 3.6 t . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.617 0.722 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -150.49 85.92 1.39 Allowed 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.545 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.6 mm? -70.12 -56.97 6.53 Favored Pre-proline 0 C--O 1.215 -0.717 0 O-C-N 121.505 -0.747 . . . . 0.0 109.858 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 47.9 Cg_endo -74.63 160.13 41.64 Favored 'Trans proline' 0 C--N 1.354 0.834 0 O-C-N 123.449 1.236 . . . . 0.0 110.649 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -125.81 89.75 3.08 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.502 -0.749 . . . . 0.0 109.398 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 p -97.71 -70.16 0.73 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.38 -0.825 . . . . 0.0 109.414 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.49 165.5 25.36 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.451 -0.78 . . . . 0.0 109.496 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 t -160.66 131.48 5.46 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.529 -0.732 . . . . 0.0 109.602 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.9 mt -142.97 40.03 1.49 Allowed 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.33 -62.03 0.67 Allowed Glycine 0 C--O 1.216 -0.981 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.607 ' HB2' HG21 ' A' ' 155' ' ' THR . 67.6 p -63.81 -39.62 94.68 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.573 -0.957 . . . . 0.0 109.87 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -67.94 -35.37 78.32 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 11.4 tpp85 -71.14 -37.16 72.28 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.381 -0.824 . . . . 0.0 109.221 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.4 m -62.76 -45.75 91.22 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.494 -0.754 . . . . 0.0 109.022 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 151' ' ' PHE . 98.8 mt -68.82 -32.31 71.93 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.716 -0.615 . . . . 0.0 109.448 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.2 ttp -64.09 -38.94 92.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.778 HD13 ' HA ' ' A' ' 84' ' ' PHE . 92.1 mt -60.7 -43.96 97.14 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 15' ' ' LEU . 48.9 mt -57.89 -42.15 84.06 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.828 -0.545 . . . . 0.0 109.902 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.54 96.59 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.523 -0.736 . . . . 0.0 109.71 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -67.08 -32.12 73.08 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.942 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.486 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 23.8 mtm -71.98 -23.92 61.5 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -41.59 127.68 3.12 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.586 -0.696 . . . . 0.0 110.757 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -102.8 -28.36 12.12 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.835 -0.54 . . . . 0.0 110.006 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.762 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -143.49 168.86 11.85 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 O-C-N 121.268 -0.895 . . . . 0.0 110.812 -177.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -84.09 139.61 32.36 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 30' ' ' LEU . 56.2 tp -56.72 -38.4 72.29 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.668 -0.645 . . . . 0.0 109.416 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.767 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 96.7 m-85 -59.29 -41.56 89.22 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.91 -34.35 74.54 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.762 ' SG ' HD12 ' A' ' 24' ' ' ILE . 73.6 m -99.32 50.55 0.94 Allowed 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.649 -0.657 . . . . 0.0 109.551 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.767 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -81.75 4.26 22.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 179.14 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -94.76 -26.7 16.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.268 -0.895 . . . . 0.0 109.262 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.716 ' O ' HG21 ' A' ' 142' ' ' VAL . 42.3 m-20 -112.78 22.93 13.99 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.444 -0.785 . . . . 0.0 110.353 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.584 ' HD3' HD12 ' A' ' 30' ' ' LEU . 40.8 ptt85 -86.3 110.11 19.42 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.895 -1.128 . . . . 0.0 109.39 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -137.3 136.29 37.87 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.437 -0.79 . . . . 0.0 109.239 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.28 119.58 21.83 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -73.47 -52.31 14.11 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.575 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.13 64.86 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 74.5 t80 -64.12 129.25 93.89 Favored Pre-proline 0 C--O 1.217 -0.611 0 O-C-N 121.565 -0.962 . . . . 0.0 108.811 178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.655 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.4 Cg_endo -75.42 66.28 6.38 Favored 'Trans proline' 0 C--N 1.351 0.664 0 O-C-N 123.712 1.375 . . . . 0.0 110.977 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.734 ' HG3' HD22 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -71.8 -19.74 61.95 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.385 -0.822 . . . . 0.0 109.99 179.627 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -58.45 -28.29 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.151 -0.968 . . . . 0.0 108.921 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HG3' ' HB3' ' A' ' 115' ' ' SER . 6.1 tp10 -98.92 33.71 2.28 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 177.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 20.8 m-85 -142.27 -77.46 0.26 Allowed 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.694 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -53.23 -26.62 29.42 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 8.4 m120 -113.39 140.56 47.96 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.475 -1.015 . . . . 0.0 109.659 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 75.6 mm-40 70.15 16.02 7.48 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.927 -0.483 . . . . 0.0 111.37 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.53 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 94.8 m-85 -152.23 112.61 4.09 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.007 -1.058 . . . . 0.0 109.265 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -167.52 36.59 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.217 -0.927 . . . . 0.0 110.231 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 22.7 tptm -177.16 70.5 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.243 -0.911 . . . . 0.0 108.783 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.79 36.64 24.86 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.546 -0.721 . . . . 0.0 109.603 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -106.49 -39.46 5.86 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.175 -0.953 . . . . 0.0 109.97 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 12.2 t -95.26 11.43 32.51 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 121.628 -0.67 . . . . 0.0 110.515 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.633 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 83.1 mt -56.9 -46.16 99.89 Favored Pre-proline 0 C--O 1.216 -0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.7 Cg_endo -64.15 -29.59 65.01 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.201 1.106 . . . . 0.0 110.19 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.649 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.5 t -73.76 -34.54 40.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 22.0 mt -68.05 -38.46 82.5 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.451 -0.781 . . . . 0.0 109.071 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.415 ' CD2' ' HB3' ' A' ' 96' ' ' GLU . 55.6 t-80 -65.59 -48.63 71.67 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.623 -0.673 . . . . 0.0 109.784 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.579 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.7 mp0 -71.77 -28.21 63.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.315 -0.866 . . . . 0.0 110.253 -179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.451 ' HG3' HG11 ' A' ' 119' ' ' VAL . 10.2 ttt -71.59 -39.22 70.67 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.021 -1.05 . . . . 0.0 109.059 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.606 HG23 HD22 ' A' ' 88' ' ' LEU . 12.5 mt -73.11 -22.05 19.38 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.392 -0.818 . . . . 0.0 109.127 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -70.01 -38.72 76.02 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -69.58 -38.23 77.26 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.796 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.493 HG23 ' CE1' ' A' ' 67' ' ' PHE . 78.5 mt -70.97 -34.95 57.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.303 -0.873 . . . . 0.0 108.71 178.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.618 ' HA ' HD13 ' A' ' 88' ' ' LEU . 46.6 t80 -60.17 -44.12 95.29 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.652 -0.655 . . . . 0.0 109.649 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.731 ' O ' HG23 ' A' ' 69' ' ' THR . 43.0 t30 -78.45 -38.7 40.59 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.902 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD11 HD11 ' A' ' 130' ' ' LEU . 28.9 tp -58.81 -32.44 69.36 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.427 -0.796 . . . . 0.0 109.553 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.493 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.4 m-85 -95.2 -26.14 16.1 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.894 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.8 t -75.54 -18.41 59.79 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.289 -0.882 . . . . 0.0 110.221 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 65' ' ' ASN . 28.5 p -52.39 147.21 8.34 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.355 -0.841 . . . . 0.0 109.888 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -60.18 -25.33 65.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.485 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.3 m-20 -74.09 -44.2 54.91 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.44 -0.787 . . . . 0.0 109.562 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.469 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.6 t -74.3 -31.06 62.35 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.381 -0.824 . . . . 0.0 109.785 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.511 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.6 m -65.35 -32.53 74.22 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.55 -0.718 . . . . 0.0 109.42 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.73 -26.83 25.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.51 82.34 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.705 -0.622 . . . . 0.0 109.893 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -116.0 167.86 10.59 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.705 -0.622 . . . . 0.0 109.51 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -65.6 132.09 47.97 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.53 -27.72 69.35 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.487 -0.758 . . . . 0.0 110.339 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -77.88 -44.46 27.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.232 -0.917 . . . . 0.0 108.723 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 81.3 mt -62.86 -38.85 92.47 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.7 -33.48 70.94 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.74 -49.87 71.94 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 83' ' ' LYS . 14.4 mmmm -65.87 -36.03 82.28 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.778 ' HA ' HD13 ' A' ' 17' ' ' LEU . 31.6 t80 -64.53 -28.46 69.66 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.732 -0.605 . . . . 0.0 109.866 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -76.29 -43.34 42.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.988 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -66.31 -32.08 73.26 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.721 -0.612 . . . . 0.0 109.571 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -77.69 -34.02 53.04 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.398 -0.814 . . . . 0.0 109.08 178.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.727 HD11 ' CE2' ' A' ' 84' ' ' PHE . 43.4 mt -65.22 -39.91 93.38 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.341 -0.849 . . . . 0.0 108.895 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.525 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -75.7 -32.96 60.3 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.574 -0.704 . . . . 0.0 109.916 179.298 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -64.48 -47.57 78.46 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.035 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.12 -25.34 64.35 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.5 mt -72.09 -34.44 68.66 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -73.77 -35.49 64.98 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.303 -0.873 . . . . 0.0 109.088 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -68.64 -43.44 76.28 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 56' ' ' LEU . 62.0 mt -63.98 -47.36 80.68 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.025 0.44 . . . . 0.0 110.39 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.464 ' O ' HG13 ' A' ' 100' ' ' ILE . 21.7 pt-20 -69.52 -23.54 63.62 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.52 -0.737 . . . . 0.0 110.488 -179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 100' ' ' ILE . . . -53.31 -43.95 68.0 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.336 -0.852 . . . . 0.0 109.521 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.509 ' SG ' HD13 ' A' ' 53' ' ' ILE . 95.7 m -61.84 -44.45 96.82 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.554 -0.716 . . . . 0.0 109.338 177.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.555 HG22 HG11 ' A' ' 105' ' ' VAL . 19.8 t -63.52 -34.36 67.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.963 -0.461 . . . . 0.0 110.199 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 97' ' ' ALA . 79.6 mt -65.81 -57.8 9.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 O-C-N 121.27 -0.893 . . . . 0.0 109.753 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -70.91 174.65 5.87 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.617 -0.677 . . . . 0.0 109.95 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.47 47.53 3.06 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.632 HG21 ' HB2' ' A' ' 1' ' ' CYS . 3.4 t -84.93 169.77 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 O-C-N 121.549 -0.971 . . . . 0.0 108.391 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.47 ' H ' HG12 ' A' ' 103' ' ' VAL . . . -64.74 93.26 0.15 Allowed Glycine 0 C--O 1.214 -1.15 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.555 HG11 HG22 ' A' ' 99' ' ' VAL . 36.2 t -133.49 -115.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.468 ' N ' HG12 ' A' ' 105' ' ' VAL . 31.8 p -58.1 120.02 7.85 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.233 -0.917 . . . . 0.0 109.438 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -176.47 -40.22 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.734 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 22.0 p -58.05 168.61 1.13 Allowed Pre-proline 0 CA--C 1.54 0.594 0 O-C-N 121.722 -0.611 . . . . 0.0 110.283 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.734 ' HD2' ' HB ' ' A' ' 108' ' ' THR . 33.6 Cg_endo -61.0 174.41 1.81 Allowed 'Trans proline' 0 C--N 1.353 0.785 0 O-C-N 123.775 1.408 . . . . 0.0 111.5 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.4 mt -42.62 -22.11 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.966 -0.459 . . . . 0.0 112.127 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.474 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 18.7 ptm -51.67 -25.18 6.71 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.231 -0.918 . . . . 0.0 110.374 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -57.56 -33.67 68.38 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.269 -0.895 . . . . 0.0 109.758 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -89.3 -27.85 20.26 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.337 -0.852 . . . . 0.0 109.211 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.15 -32.24 71.96 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.359 -0.838 . . . . 0.0 109.502 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.585 ' HB3' ' HG3' ' A' ' 42' ' ' GLU . 2.3 p -66.4 -45.06 81.23 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 108.908 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.649 HG12 ' HA ' ' A' ' 55' ' ' VAL . 79.1 mt -67.63 -36.52 76.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 117' ' ' LEU . 19.6 mt -65.03 -33.31 75.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.783 -0.573 . . . . 0.0 109.649 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.655 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.9 -45.98 79.99 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.451 HG11 ' HG3' ' A' ' 59' ' ' MET . 77.5 t -65.77 -28.77 44.96 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.5 -42.91 77.92 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.169 -0.957 . . . . 0.0 109.634 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 121' ' ' LYS . 3.2 tppp? -72.96 -31.61 64.68 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.436 -0.79 . . . . 0.0 109.1 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.61 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 55.9 t80 -64.12 -47.81 78.54 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.601 -0.687 . . . . 0.0 109.368 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -71.74 -28.39 63.63 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.794 -0.566 . . . . 0.0 109.987 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -63.34 -40.56 97.65 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -67.38 -39.65 85.66 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.525 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.2 mt -60.49 -38.29 77.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 121.569 -0.707 . . . . 0.0 109.172 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 130' ' ' LEU . 56.0 m -64.81 -38.21 90.2 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 109.159 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.484 HD12 ' NZ ' ' A' ' 131' ' ' LYS . 14.5 tp -64.39 -44.33 91.67 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -58.33 -37.14 74.54 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.779 -0.575 . . . . 0.0 109.485 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' A' ' 140' ' ' TRP . 32.3 mt -70.15 -42.41 72.58 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 121.695 -0.628 . . . . 0.0 109.554 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.484 ' NZ ' HD12 ' A' ' 128' ' ' LEU . 9.8 mtmp? -71.0 -20.23 62.44 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.737 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -75.9 -51.38 12.61 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.211 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 5.3 mptp? -81.03 4.31 20.14 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.873 -0.517 . . . . 0.0 109.793 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.45 38.91 22.47 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.684 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 90.2 m-85 62.05 52.57 3.25 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.691 -0.631 . . . . 0.0 110.286 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.462 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.9 m -79.94 162.25 62.96 Favored Pre-proline 0 C--O 1.218 -0.577 0 O-C-N 121.475 -0.765 . . . . 0.0 109.329 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.3 Cg_endo -69.61 -36.64 10.82 Favored 'Trans proline' 0 C--N 1.35 0.609 0 O-C-N 123.833 1.439 . . . . 0.0 111.221 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.94 -39.31 76.16 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.351 -0.843 . . . . 0.0 109.077 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -65.6 -41.26 92.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.479 -0.763 . . . . 0.0 109.035 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.484 ' CE2' HD22 ' A' ' 130' ' ' LEU . 18.4 m95 -67.3 -38.67 85.39 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.513 -0.742 . . . . 0.0 109.939 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.34 -36.71 81.98 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.412 -0.805 . . . . 0.0 109.375 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.716 HG21 ' O ' ' A' ' 32' ' ' ASP . 41.5 t -67.54 -38.89 81.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 139' ' ' ALA . 93.8 t -71.89 -23.75 22.35 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.433 ' C ' ' HD2' ' A' ' 144' ' ' ARG . 4.5 tmm_? -67.72 -48.84 65.37 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.54 75.94 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.662 -0.649 . . . . 0.0 109.413 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.08 -35.3 76.36 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.54 -0.725 . . . . 0.0 109.915 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 mm -77.27 -31.89 18.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.459 -0.776 . . . . 0.0 109.655 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.509 ' HG3' HD22 ' A' ' 15' ' ' LEU . 34.6 ttm -73.09 -37.59 66.7 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.392 -0.818 . . . . 0.0 108.84 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 149' ' ' ARG . 17.4 tpp180 -71.03 -49.86 40.31 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 121.611 -0.681 . . . . 0.0 109.357 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.56 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 73.5 p -61.2 -42.03 97.87 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.962 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.921 ' HB3' HD21 ' A' ' 15' ' ' LEU . 64.6 t80 -68.46 -34.89 76.75 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.383 -0.823 . . . . 0.0 109.645 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 32.5 t -68.82 -39.0 80.24 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 108.797 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.734 HD22 ' HG3' ' A' ' 40' ' ' GLN . 32.2 mt -63.28 -41.15 98.98 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.613 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.9 m -66.12 -36.51 83.35 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.982 -0.449 . . . . 0.0 110.363 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 11' ' ' SER . 69.2 p -94.79 0.81 55.22 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.184 -0.947 . . . . 0.0 110.652 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 152' ' ' SER . 47.4 t30 -82.56 -2.86 54.9 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 121.077 -1.015 . . . . 0.0 110.969 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.694 HD11 ' HA2' ' A' ' 44' ' ' GLY . 2.2 mm? -65.57 -40.49 92.84 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 120.666 -1.271 . . . . 0.0 109.539 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.409 ' O ' HD13 ' A' ' 161' ' ' LEU . 66.8 tp60 -81.16 -21.87 39.39 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.397 -0.814 . . . . 0.0 109.281 178.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.54 -2.01 56.51 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.377 -0.827 . . . . 0.0 110.575 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.691 ' C ' HD12 ' A' ' 161' ' ' LEU . 29.6 t -91.67 67.19 5.4 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 121.233 -0.917 . . . . 0.0 109.938 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 160' ' ' SER . 8.6 mp -126.9 80.01 1.92 Allowed 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -125.34 -66.46 0.95 Allowed 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.453 -0.779 . . . . 0.0 110.109 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.1 t -103.81 140.55 37.5 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.19 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -117.59 53.1 0.95 Allowed 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.757 -179.614 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.641 ' HB2' HG21 ' A' ' 103' ' ' VAL . 3.8 t . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.645 0.736 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -143.47 68.81 1.29 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.5 mm? -61.32 -54.58 51.68 Favored Pre-proline 0 C--O 1.217 -0.644 0 O-C-N 121.496 -0.752 . . . . 0.0 109.67 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 44.7 Cg_endo -73.4 109.55 2.87 Favored 'Trans proline' 0 C--N 1.354 0.821 0 O-C-N 123.559 1.294 . . . . 0.0 110.2 179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -102.05 87.59 3.13 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.419 -0.801 . . . . 0.0 109.1 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.8 p -92.16 -58.37 2.41 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.08 157.33 34.81 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.444 -0.785 . . . . 0.0 109.194 178.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.3 p -155.41 107.83 2.68 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.475 -0.766 . . . . 0.0 109.67 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.644 HD12 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -150.06 43.16 0.87 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.469 -0.77 . . . . 0.0 109.118 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.6 -50.98 1.15 Allowed Glycine 0 C--O 1.216 -1.026 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.914 ' HB3' HG21 ' A' ' 155' ' ' THR . 55.3 m -62.91 -40.2 96.87 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.634 -0.921 . . . . 0.0 109.765 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HB3' HD13 ' A' ' 9' ' ' LEU . 9.7 tpt180 -64.23 -37.73 88.53 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.531 -0.73 . . . . 0.0 109.3 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' HG2' HD12 ' A' ' 9' ' ' LEU . 38.5 mmm-85 -67.82 -31.26 70.99 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.281 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -62.96 -44.32 96.36 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.939 HD21 ' HB3' ' A' ' 151' ' ' PHE . 82.9 mt -70.57 -33.6 71.27 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.733 -0.604 . . . . 0.0 109.577 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttp -64.15 -37.55 87.87 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.345 -0.847 . . . . 0.0 108.846 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.784 HD13 ' HA ' ' A' ' 84' ' ' PHE . 78.3 mt -63.06 -45.61 91.38 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 15' ' ' LEU . 76.4 mt -57.38 -39.32 75.81 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.865 -0.522 . . . . 0.0 109.961 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.3 95.1 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.455 -0.778 . . . . 0.0 109.892 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -66.89 -24.65 66.13 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.449 -0.782 . . . . 0.0 110.382 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.534 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 19.6 mtm -77.47 -19.96 55.15 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 121.15 -0.969 . . . . 0.0 110.599 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -50.35 124.59 10.8 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.094 -1.004 . . . . 0.0 110.791 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.3 mptm? -103.08 -34.15 8.99 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.886 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.5 pt -130.81 171.19 18.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 121.571 0.701 . . . . 0.0 110.462 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -91.3 145.47 24.62 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD21 ' HE ' ' A' ' 33' ' ' ARG . 59.9 tp -59.9 -35.66 75.34 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.581 -0.699 . . . . 0.0 109.14 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.727 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 85.6 m-85 -63.5 -40.51 97.27 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 t -60.19 -28.01 67.62 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.886 ' SG ' HD12 ' A' ' 24' ' ' ILE . 55.4 m -107.02 51.96 0.73 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.66 -0.65 . . . . 0.0 109.691 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.727 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -80.78 3.7 21.52 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.276 -0.89 . . . . 0.0 109.979 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -88.17 -30.1 20.02 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.278 -0.889 . . . . 0.0 108.657 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.669 ' O ' HG21 ' A' ' 142' ' ' VAL . 3.4 m-20 -111.33 18.04 19.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.792 -0.568 . . . . 0.0 110.023 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HE ' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -71.36 107.62 4.4 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.005 -1.06 . . . . 0.0 108.82 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -144.36 129.62 18.75 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.7 129.36 34.41 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.514 -0.741 . . . . 0.0 109.202 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 61.7 m-85 -80.19 -34.42 37.45 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.465 -0.772 . . . . 0.0 109.761 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.05 77.07 1.25 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.476 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 88.7 t80 -76.91 130.16 76.67 Favored Pre-proline 0 C--O 1.218 -0.593 0 O-C-N 121.515 -0.991 . . . . 0.0 109.184 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.566 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.2 Cg_endo -80.75 70.48 7.51 Favored 'Trans proline' 0 C--N 1.352 0.712 0 O-C-N 123.743 1.391 . . . . 0.0 110.955 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.646 ' OE1' HD22 ' A' ' 153' ' ' LEU . 13.2 tt0 -72.0 -16.93 62.08 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.325 -0.86 . . . . 0.0 109.615 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -56.43 -33.37 65.79 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.246 -0.908 . . . . 0.0 108.671 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.657 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 1.3 tp10 -92.37 29.02 1.78 Allowed 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.426 -0.796 . . . . 0.0 109.644 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.626 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 40.0 m-85 -141.87 35.78 1.59 Allowed 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.511 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.91 -95.62 0.41 Allowed Glycine 0 C--O 1.217 -0.926 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.186 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -71.93 140.1 49.04 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.767 -0.843 . . . . 0.0 109.795 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 70.08 26.06 4.61 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.135 0.493 . . . . 0.0 109.852 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CD1' HG23 ' A' ' 52' ' ' THR . 70.3 m-85 -138.16 57.93 1.69 Allowed 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.106 -0.996 . . . . 0.0 108.85 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -151.94 164.47 37.07 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.543 -0.723 . . . . 0.0 109.105 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 62.27 56.98 2.06 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.531 -0.731 . . . . 0.0 109.117 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.72 66.56 0.67 Allowed 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.705 -0.622 . . . . 0.0 109.642 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -136.96 -49.45 0.63 Allowed 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.445 -0.784 . . . . 0.0 109.667 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.596 HG23 ' CD1' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -85.38 -4.86 59.29 Favored 'General case' 0 C--O 1.21 -0.996 0 O-C-N 121.849 -0.532 . . . . 0.0 110.176 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.767 HG23 HD23 ' A' ' 95' ' ' LEU . 23.4 mt -50.48 -47.9 82.85 Favored Pre-proline 0 C--O 1.216 -0.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.999 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.4 Cg_endo -64.11 -33.62 60.72 Favored 'Trans proline' 0 C--N 1.354 0.861 0 O-C-N 123.15 1.079 . . . . 0.0 110.545 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.626 ' CG1' ' CZ ' ' A' ' 43' ' ' PHE . 47.3 t -70.98 -42.79 77.01 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 44.0 mt -64.75 -30.89 71.91 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.0 -47.09 66.39 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.452 -0.78 . . . . 0.0 109.694 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.808 ' HG3' HD13 ' A' ' 116' ' ' ILE . 81.6 mm-40 -74.18 -28.22 61.18 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.408 ' CG ' HG11 ' A' ' 119' ' ' VAL . 9.9 ttt -73.8 -43.39 59.01 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.202 -0.936 . . . . 0.0 109.242 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.483 HG12 ' HE1' ' A' ' 151' ' ' PHE . 10.1 mt -71.77 -22.34 21.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.41 -0.806 . . . . 0.0 109.137 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -38.11 65.43 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -67.92 -40.51 83.35 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.608 HG23 ' CE1' ' A' ' 67' ' ' PHE . 66.4 mt -67.72 -34.61 68.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.555 ' HA ' HD13 ' A' ' 88' ' ' LEU . 25.1 t80 -56.9 -48.84 77.26 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.686 -0.634 . . . . 0.0 109.777 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.777 ' O ' HG23 ' A' ' 69' ' ' THR . 6.7 m120 -76.98 -34.78 57.53 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.497 -0.752 . . . . 0.0 109.945 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 130' ' ' LEU . 50.8 tp -59.45 -33.49 71.35 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.516 -0.74 . . . . 0.0 109.779 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.608 ' CE1' HG23 ' A' ' 63' ' ' ILE . 60.1 m-85 -99.09 -23.18 15.35 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.534 -0.728 . . . . 0.0 110.09 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -75.36 -19.88 59.31 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.217 -0.927 . . . . 0.0 110.222 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 65' ' ' ASN . 37.8 p -54.76 149.44 11.16 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.088 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -22.94 67.14 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.649 -0.657 . . . . 0.0 109.771 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.526 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.2 m-20 -74.85 -37.5 62.2 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.455 -0.778 . . . . 0.0 109.441 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.404 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 15.4 t -78.36 -31.34 48.49 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.485 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.599 ' HA ' HD12 ' A' ' 81' ' ' LEU . 99.2 p -68.3 -33.56 74.55 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 121.593 -0.692 . . . . 0.0 109.534 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.6 -17.49 44.58 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.29 31.68 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 69.3 m95 -118.59 170.77 8.68 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.718 -0.614 . . . . 0.0 109.733 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.482 ' HB2' HD12 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -61.78 130.53 46.21 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -66.16 -28.22 68.61 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.453 -0.78 . . . . 0.0 110.233 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -77.97 -44.8 25.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.136 -0.978 . . . . 0.0 108.738 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 77' ' ' ASP . 95.7 mt -62.58 -38.07 88.68 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.4 -33.61 69.63 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.87 -53.42 56.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 75.7 mmtt -65.19 -35.61 81.61 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.795 ' CE2' HD11 ' A' ' 88' ' ' LEU . 45.0 t80 -62.56 -29.18 70.39 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.795 -0.566 . . . . 0.0 109.514 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.0 m-85 -74.67 -42.26 58.79 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.216 -0.928 . . . . 0.0 109.108 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.8 m -65.41 -34.28 77.93 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.734 -0.604 . . . . 0.0 109.803 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.39 -34.61 65.62 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.411 -0.806 . . . . 0.0 109.364 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.795 HD11 ' CE2' ' A' ' 84' ' ' PHE . 68.8 mt -69.65 -40.6 76.38 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.555 -0.716 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.529 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.0 t80 -76.17 -32.1 58.87 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.493 -0.754 . . . . 0.0 109.921 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -51.88 59.88 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.67 -30.26 71.39 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 11.7 mt -68.93 -33.17 73.29 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.646 -0.659 . . . . 0.0 109.694 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -70.09 -42.42 72.76 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.233 -0.917 . . . . 0.0 109.36 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.51 -47.05 74.2 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.434 -0.791 . . . . 0.0 109.048 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.767 HD23 HG23 ' A' ' 53' ' ' ILE . 82.0 mt -59.65 -40.56 88.13 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.583 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.541 ' O ' HG12 ' A' ' 100' ' ' ILE . 82.1 tt0 -74.18 -37.12 64.03 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 121.383 -0.823 . . . . 0.0 110.096 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.79 -44.38 63.42 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.749 -0.594 . . . . 0.0 110.018 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.591 ' SG ' HD13 ' A' ' 53' ' ' ILE . 91.0 m -57.42 -44.19 84.42 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 121.788 0.804 . . . . 0.0 108.857 177.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.787 HG22 HG11 ' A' ' 105' ' ' VAL . 61.6 t -68.53 -30.6 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.224 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 96' ' ' GLU . 39.8 mm -65.83 -57.95 8.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 O-C-N 121.158 -0.964 . . . . 0.0 110.072 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -69.38 -178.01 1.28 Allowed 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.527 -0.733 . . . . 0.0 110.159 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -87.84 46.3 3.42 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.641 HG21 ' HB2' ' A' ' 1' ' ' CYS . 25.6 t -76.25 167.76 2.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -70.49 75.99 0.52 Allowed Glycine 0 CA--C 1.532 1.141 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.787 HG11 HG22 ' A' ' 99' ' ' VAL . 18.6 t -122.84 14.43 5.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 121.633 -0.922 . . . . 0.0 109.338 178.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 105' ' ' VAL . 10.9 p -156.93 116.88 3.5 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 179.55 -48.06 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.666 -0.646 . . . . 0.0 109.302 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.687 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 74.8 p -62.87 166.9 6.77 Favored Pre-proline 0 C--O 1.219 -0.546 0 O-C-N 121.719 -0.613 . . . . 0.0 109.876 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.687 ' HD2' ' HB ' ' A' ' 108' ' ' THR . 36.6 Cg_endo -64.01 173.71 4.65 Favored 'Trans proline' 0 C--N 1.351 0.696 0 O-C-N 123.83 1.437 . . . . 0.0 111.143 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.756 ' C ' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -49.26 -12.84 0.06 Allowed 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.843 -0.536 . . . . 0.0 112.339 -177.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.549 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 24.8 ptm -57.38 -18.91 19.9 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 120.839 -1.163 . . . . 0.0 110.462 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -31.33 66.75 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.13 -0.982 . . . . 0.0 109.756 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -84.14 -24.43 30.22 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.257 -0.902 . . . . 0.0 109.103 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.88 -28.31 69.75 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.442 -0.786 . . . . 0.0 110.12 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.657 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 13.3 p -68.29 -45.07 74.08 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.053 -1.029 . . . . 0.0 108.41 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.808 HD13 ' HG3' ' A' ' 58' ' ' GLU . 71.5 mt -69.73 -37.37 73.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.41 -30.71 71.75 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -66.18 -49.58 66.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' A' ' 59' ' ' MET . 72.7 t -63.14 -27.35 42.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.921 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -69.39 -41.23 76.75 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.47 -38.28 77.65 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.392 -0.817 . . . . 0.0 109.247 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.767 ' CE2' HD11 ' A' ' 126' ' ' ILE . 39.1 t80 -64.44 -46.82 81.52 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.39 -23.8 61.95 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.713 -0.617 . . . . 0.0 109.997 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -66.97 -39.59 87.26 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -69.45 -37.15 77.21 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.767 HD11 ' CE2' ' A' ' 122' ' ' TYR . 59.8 mt -65.23 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 O-C-N 121.484 -0.76 . . . . 0.0 109.497 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 58.7 m -67.11 -42.97 83.64 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.499 -0.751 . . . . 0.0 109.68 -178.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 128' ' ' LEU . 11.3 tp -67.48 -35.92 80.11 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.489 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 26.0 t80 -59.96 -40.71 89.94 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 66' ' ' LEU . 41.8 mt -68.83 -38.72 80.04 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 127' ' ' THR . 2.0 mmmp? -69.11 -27.58 65.71 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.055 -1.028 . . . . 0.0 109.387 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 1.8 tm-20 -70.48 -57.45 4.77 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.501 -0.75 . . . . 0.0 109.031 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.7 mptp? -75.98 -0.16 20.62 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 134' ' ' LYS . 29.4 mmmt 58.02 47.07 15.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.377 -0.827 . . . . 0.0 109.655 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.526 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 99.4 m-85 58.11 54.9 5.54 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 121.376 0.608 . . . . 0.0 110.339 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.455 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -81.69 162.02 59.36 Favored Pre-proline 0 C--O 1.217 -0.635 0 O-C-N 121.377 -0.827 . . . . 0.0 109.368 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.6 Cg_endo -68.66 -38.3 10.89 Favored 'Trans proline' 0 C--N 1.35 0.62 0 O-C-N 123.8 1.421 . . . . 0.0 111.372 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.35 -38.53 68.55 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -64.81 -37.6 88.15 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.418 -0.801 . . . . 0.0 108.965 178.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.404 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.2 m95 -69.69 -34.13 73.5 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 121.529 -0.732 . . . . 0.0 109.641 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.89 -46.39 85.07 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.338 -0.851 . . . . 0.0 109.319 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.669 HG21 ' O ' ' A' ' 32' ' ' ASP . 53.0 t -62.9 -38.5 82.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 139' ' ' ALA . 64.0 t -72.36 -25.55 23.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 O-C-N 121.593 -0.692 . . . . 0.0 109.705 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -46.35 66.49 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.185 -0.947 . . . . 0.0 109.044 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.82 71.19 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.453 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 44.9 mm-40 -69.16 -36.08 77.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.604 -0.685 . . . . 0.0 109.855 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 67' ' ' PHE . 14.7 mm -76.57 -33.24 22.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.287 -0.883 . . . . 0.0 109.739 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.2 ttm -72.22 -39.94 68.17 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -74.09 -42.2 60.5 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.391 -0.818 . . . . 0.0 109.736 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.8 m -66.01 -40.2 90.9 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.441 -0.787 . . . . 0.0 109.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.939 ' HB3' HD21 ' A' ' 15' ' ' LEU . 60.1 t80 -64.86 -38.67 91.76 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.486 -0.759 . . . . 0.0 109.271 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.4 t -65.47 -38.53 90.08 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.646 HD22 ' OE1' ' A' ' 40' ' ' GLN . 72.2 mt -64.04 -31.2 72.3 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 109.824 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.593 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 41.4 m -79.94 -27.73 39.76 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.288 -0.883 . . . . 0.0 110.055 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.914 HG21 ' HB3' ' A' ' 11' ' ' SER . 76.6 p -96.61 -0.61 48.34 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.371 -0.831 . . . . 0.0 110.632 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.26 -7.85 49.68 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.063 . . . . 0.0 110.243 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.516 ' N ' HD22 ' A' ' 157' ' ' LEU . 3.6 mm? -67.19 -37.38 83.59 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 120.942 -1.099 . . . . 0.0 109.238 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -75.53 -31.01 59.95 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.468 -0.77 . . . . 0.0 109.561 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.73 0.64 56.86 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.464 -0.773 . . . . 0.0 110.622 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 74.4 m -46.16 -46.73 17.5 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.593 -0.692 . . . . 0.0 110.146 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.558 ' N ' HD22 ' A' ' 161' ' ' LEU . 3.6 mm? -78.96 99.41 6.82 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -118.98 -65.65 1.15 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.471 -0.768 . . . . 0.0 109.742 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 87.8 p -136.32 168.69 18.95 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.377 -0.827 . . . . 0.0 110.064 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -135.69 81.02 1.86 Allowed 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.427 -179.732 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.45 ' HB3' HG21 ' A' ' 103' ' ' VAL . 71.2 m . . . . . 0 N--CA 1.493 1.725 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' HD23 ' A' ' 3' ' ' LEU . 10.2 p-10 -89.05 67.07 8.0 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.404 -0.81 . . . . 0.0 109.597 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.667 HD21 HG21 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -139.53 -66.09 0.02 OUTLIER Pre-proline 0 C--O 1.216 -0.675 0 O-C-N 121.299 -0.876 . . . . 0.0 109.103 179.761 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.646 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 54.5 Cg_endo -87.74 154.44 7.47 Favored 'Trans proline' 0 C--N 1.357 1.014 0 O-C-N 123.425 1.224 . . . . 0.0 110.222 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -120.53 52.94 1.13 Allowed 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.336 -0.853 . . . . 0.0 108.792 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -150.62 52.0 0.88 Allowed 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -87.14 175.41 8.09 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.128 -0.983 . . . . 0.0 109.957 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t 179.74 159.94 0.79 Allowed 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' A' ' 12' ' ' ARG . 41.2 tp -70.38 106.3 3.34 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.222 -0.924 . . . . 0.0 108.537 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.38 -28.93 4.41 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.7 p -65.29 -45.76 83.13 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.31 -1.112 . . . . 0.0 109.899 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' CB ' HD21 ' A' ' 9' ' ' LEU . 36.1 tpt85 -66.12 -35.47 80.58 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.555 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 19.7 mmt85 -70.24 -33.56 71.79 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.446 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -69.37 -41.45 76.5 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.191 -0.943 . . . . 0.0 108.785 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.777 HD21 ' HB3' ' A' ' 151' ' ' PHE . 87.7 mt -70.52 -33.35 71.08 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.664 -0.647 . . . . 0.0 110.363 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.555 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.2 ptm -70.53 -31.13 68.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.794 -1.191 . . . . 0.0 108.903 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.798 HD13 ' HA ' ' A' ' 84' ' ' PHE . 96.8 mt -62.67 -43.37 98.98 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.577 HD12 HD23 ' A' ' 15' ' ' LEU . 75.6 mt -58.75 -43.16 90.23 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.3 74.82 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.527 -0.733 . . . . 0.0 109.656 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.94 -29.43 65.45 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.511 -0.743 . . . . 0.0 109.58 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.533 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 55.6 mtp -73.54 -19.3 60.94 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.484 -0.76 . . . . 0.0 110.8 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttp85 -71.77 110.21 6.16 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.888 -1.132 . . . . 0.0 109.208 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -90.36 -36.97 14.33 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.549 -0.72 . . . . 0.0 109.687 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.872 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -109.81 161.4 8.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 121.732 0.777 . . . . 0.0 110.425 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.1 m -83.04 144.09 30.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 63.3 tp -62.4 -35.27 78.7 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 121.545 -0.722 . . . . 0.0 109.462 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.835 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 62.2 m-85 -66.14 -39.25 89.7 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.371 -0.831 . . . . 0.0 108.897 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -59.41 -40.19 85.89 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.872 ' SG ' HD12 ' A' ' 24' ' ' ILE . 18.0 m -111.74 51.15 0.8 Allowed 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.835 ' HB3' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -108.96 7.96 26.15 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.524 -176.318 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -82.62 -33.53 27.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -99.74 17.21 21.22 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.58 -0.7 . . . . 0.0 110.124 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.561 ' NH1' HD12 ' A' ' 30' ' ' LEU . 33.4 ptt180 -82.13 151.52 26.94 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 120.872 -1.142 . . . . 0.0 110.941 -177.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.2 p80 177.2 149.44 0.15 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.73 126.98 31.64 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.317 -0.865 . . . . 0.0 109.285 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.559 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 78.4 m-85 -70.92 -35.99 72.49 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.543 -0.723 . . . . 0.0 109.556 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.05 55.72 0.1 OUTLIER Glycine 0 C--O 1.217 -0.954 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 87.3 t80 -68.76 124.89 91.18 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.47 -1.018 . . . . 0.0 108.754 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.532 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 54.3 Cg_endo -78.68 66.47 8.6 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 O-C-N 123.879 1.462 . . . . 0.0 111.052 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.859 ' HG3' HD22 ' A' ' 153' ' ' LEU . 13.7 tm0? -70.32 -20.88 62.97 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.268 -0.895 . . . . 0.0 109.618 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -59.81 -31.0 69.3 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.542 ' HG3' ' CE2' ' A' ' 47' ' ' PHE . 4.7 tt0 -93.06 22.31 5.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.515 ' O ' HD21 ' A' ' 157' ' ' LEU . 11.3 m-85 -136.13 23.05 3.27 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.447 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.19 -52.83 0.04 OUTLIER Glycine 0 C--O 1.217 -0.909 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 73.7 m-20 -101.81 147.4 26.54 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.837 -0.802 . . . . 0.0 109.033 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 14.4 mm100 64.8 15.98 10.16 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.719 -0.613 . . . . 0.0 110.04 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.995 ' HB3' HG23 ' A' ' 52' ' ' THR . 84.3 m-85 -148.87 72.57 1.18 Allowed 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.36 -0.837 . . . . 0.0 108.753 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -142.78 34.65 1.41 Allowed 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.037 -1.039 . . . . 0.0 110.343 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -169.2 79.22 0.12 Allowed 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.308 -0.87 . . . . 0.0 108.831 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . . . 60.14 20.76 10.04 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.737 -0.602 . . . . 0.0 110.125 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.607 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 59.9 mm-40 -94.08 -37.23 11.72 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.245 -0.909 . . . . 0.0 109.168 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.995 HG23 ' HB3' ' A' ' 47' ' ' PHE . 6.4 p -82.23 -25.87 33.76 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 121.746 -0.596 . . . . 0.0 110.14 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.686 HG21 ' HB2' ' A' ' 98' ' ' CYS . 62.5 mt -42.68 -51.4 12.01 Favored Pre-proline 0 N--CA 1.476 0.872 0 O-C-N 121.42 -0.8 . . . . 0.0 111.755 -178.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.3 Cg_endo -65.37 -35.49 39.64 Favored 'Trans proline' 0 C--N 1.354 0.83 0 O-C-N 123.1 1.053 . . . . 0.0 110.565 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.1 t -71.7 -31.88 43.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.592 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.4 mt -73.18 -29.95 63.19 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.436 ' O ' HD21 ' A' ' 92' ' ' LEU . 56.3 t-80 -68.15 -46.57 70.41 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.456 -0.777 . . . . 0.0 109.027 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.87 ' HG3' HD13 ' A' ' 116' ' ' ILE . 61.3 mm-40 -76.92 -26.96 54.68 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.345 -0.847 . . . . 0.0 109.802 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -45.45 74.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 108.626 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 88' ' ' LEU . 5.6 mt -73.67 -23.23 19.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 121.766 -0.584 . . . . 0.0 109.496 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -73.24 -36.35 66.41 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -71.29 -37.76 71.83 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.647 -0.658 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.523 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.8 mt -71.81 -32.87 46.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.581 ' HA ' HD13 ' A' ' 88' ' ' LEU . 27.3 t80 -60.8 -46.37 90.79 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.484 -0.76 . . . . 0.0 109.658 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 69' ' ' THR . 19.9 t-20 -76.98 -36.89 56.1 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.591 -0.693 . . . . 0.0 109.911 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 130' ' ' LEU . 36.0 tp -61.8 -29.78 70.38 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 121.412 -0.805 . . . . 0.0 109.747 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 63' ' ' ILE . 21.4 m-85 -97.56 -25.0 15.3 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.278 -0.889 . . . . 0.0 109.947 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 8.2 t -75.33 -21.87 58.07 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.35 -0.844 . . . . 0.0 110.182 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 65' ' ' ASN . 3.6 p -53.18 148.37 8.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.383 -0.823 . . . . 0.0 110.016 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -65.45 -26.94 68.18 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.652 -0.655 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.6 p30 -71.94 -18.41 62.01 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.39 -0.819 . . . . 0.0 109.756 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.48 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.9 m -102.77 -31.77 10.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.387 -0.82 . . . . 0.0 109.619 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.557 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 70.8 m -65.12 -30.3 71.22 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.633 -0.667 . . . . 0.0 109.293 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.58 -30.68 24.82 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.99 86.03 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.523 -0.736 . . . . 0.0 110.035 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.419 ' CE3' ' O ' ' A' ' 21' ' ' MET . 69.3 m95 -114.59 175.48 5.47 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.612 -0.68 . . . . 0.0 109.698 -178.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.571 ' HB2' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -72.38 138.91 47.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.251 -0.906 . . . . 0.0 108.952 179.341 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -27.65 66.38 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.044 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -78.89 -43.91 23.89 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.229 -0.92 . . . . 0.0 108.866 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 77' ' ' ASP . 99.0 mt -63.63 -37.53 87.67 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.557 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.3 mt -72.31 -33.22 67.21 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -55.75 -53.35 57.7 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 83' ' ' LYS . 27.2 mmmt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.798 ' HA ' HD13 ' A' ' 17' ' ' LEU . 12.3 t80 -63.34 -34.34 77.5 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.602 -0.686 . . . . 0.0 109.233 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.17 -31.45 64.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.229 -0.92 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -70.12 -41.06 74.47 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.515 -0.74 . . . . 0.0 109.71 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -75.63 -30.01 59.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.163 -0.961 . . . . 0.0 109.636 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.723 HD11 ' CE2' ' A' ' 84' ' ' PHE . 75.0 mt -70.92 -37.74 72.91 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.154 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.53 -33.24 48.09 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.534 -0.729 . . . . 0.0 109.981 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -71.01 -47.59 57.86 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 109.123 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.525 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 5.5 tp60 -64.15 -34.55 78.32 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.436 HD21 ' O ' ' A' ' 57' ' ' HIS . 9.0 mt -62.92 -43.27 99.25 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.46 -53.14 61.48 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.978 -0.451 . . . . 0.0 111.391 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 91' ' ' GLN . 5.0 p-10 -65.36 -46.2 81.09 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.743 -1.223 . . . . 0.0 109.167 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 56' ' ' LEU . 85.0 mt -52.42 -35.16 51.28 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.973 0.416 . . . . 0.0 109.96 178.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.462 ' O ' HG12 ' A' ' 100' ' ' ILE . 88.4 tt0 -74.92 -37.46 62.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 121.361 -0.837 . . . . 0.0 109.87 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.627 ' HB1' HD12 ' A' ' 3' ' ' LEU . . . -52.91 -50.47 63.88 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.63 -0.669 . . . . 0.0 109.77 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.686 ' HB2' HG21 ' A' ' 53' ' ' ILE . 16.6 m -57.24 -39.07 74.8 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.554 -0.716 . . . . 0.0 109.605 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.13 -33.71 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 121.634 -0.666 . . . . 0.0 110.184 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 96' ' ' GLU . 39.5 mm -55.52 -54.8 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 O-C-N 121.356 -0.84 . . . . 0.0 109.609 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -92.07 -175.56 4.12 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.533 -0.729 . . . . 0.0 109.91 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.93 58.56 0.39 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 3' ' ' LEU . 7.1 t -93.81 42.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 O-C-N 121.555 -0.968 . . . . 0.0 109.374 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.438 ' HA3' ' HB3' ' A' ' 50' ' ' ALA . . . 110.47 13.34 15.03 Favored Glycine 0 CA--C 1.538 1.491 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.9 t -113.9 131.9 64.45 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 O-C-N 121.161 -1.2 . . . . 0.0 108.689 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 58.5 p -121.0 166.72 13.44 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.494 -0.754 . . . . 0.0 109.769 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -143.61 -24.82 0.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.586 -0.696 . . . . 0.0 111.206 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.612 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 63.8 m -55.64 -54.11 55.15 Favored Pre-proline 0 C--O 1.216 -0.664 0 O-C-N 121.074 -1.016 . . . . 0.0 110.924 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.623 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 49.5 Cg_endo -72.81 143.39 37.05 Favored 'Trans proline' 0 C--N 1.352 0.754 0 O-C-N 123.369 1.194 . . . . 0.0 110.845 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.5 HD23 ' H ' ' A' ' 110' ' ' LEU . 2.4 pt? -71.98 -9.67 58.7 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.559 -0.713 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' A' ' 109' ' ' PRO . 20.0 ptm -55.9 -33.13 64.35 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.236 -0.915 . . . . 0.0 110.256 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 106' ' ' THR . 32.1 mmmt -68.43 -36.14 78.62 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.407 -0.808 . . . . 0.0 109.672 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 31.0 tp10 -81.41 -22.16 38.44 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 121.306 -0.871 . . . . 0.0 109.519 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.32 -39.27 93.56 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.233 -0.917 . . . . 0.0 109.589 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.532 ' OG ' HG22 ' A' ' 55' ' ' VAL . 6.0 p -63.71 -47.56 80.63 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.41 -0.807 . . . . 0.0 109.013 178.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.87 HD13 ' HG3' ' A' ' 58' ' ' GLU . 82.4 mt -66.18 -34.91 73.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 1.1 tt -64.37 -34.31 77.87 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.532 ' HB1' ' HG3' ' A' ' 39' ' ' PRO . . . -65.48 -44.83 85.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.24 -24.65 30.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -69.02 -47.08 66.33 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -28.13 65.4 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.406 -0.809 . . . . 0.0 109.395 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 58.6 t80 -67.71 -50.07 59.43 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.493 -0.755 . . . . 0.0 109.084 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.2 -25.53 62.56 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.693 -0.629 . . . . 0.0 110.217 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -65.39 -41.01 94.13 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -67.6 -38.16 83.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 122' ' ' TYR . 65.6 mt -63.84 -37.36 79.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 O-C-N 121.623 -0.673 . . . . 0.0 109.728 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.6 m -66.47 -43.37 85.67 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.164 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 128' ' ' LEU . 8.7 tp -66.55 -32.73 74.26 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -62.87 -45.37 92.89 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.731 -0.606 . . . . 0.0 109.373 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 66' ' ' LEU . 57.9 mt -63.42 -39.57 94.83 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -74.6 -18.44 60.56 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.266 -0.897 . . . . 0.0 109.7 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -77.35 -51.18 11.27 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.253 -0.905 . . . . 0.0 108.902 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -80.77 1.55 29.91 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.792 -0.568 . . . . 0.0 109.584 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.46 40.71 16.83 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.795 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 59.0 m-85 60.04 51.72 5.62 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.656 -0.653 . . . . 0.0 110.082 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.45 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -75.84 162.31 72.45 Favored Pre-proline 0 C--O 1.217 -0.613 0 O-C-N 121.392 -0.818 . . . . 0.0 109.046 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.1 Cg_endo -68.95 -42.75 3.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 O-C-N 123.65 1.342 . . . . 0.0 110.993 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 27.9 m -68.64 -39.06 80.89 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -58.78 -38.16 77.89 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.685 -0.634 . . . . 0.0 109.349 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.48 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 20.8 m95 -72.31 -29.14 63.57 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 121.58 -0.7 . . . . 0.0 110.354 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.703 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.3 tm-20 -73.59 -36.96 65.61 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.086 -1.009 . . . . 0.0 108.72 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 73.2 t -63.7 -44.17 98.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 139' ' ' ALA . 42.6 t -71.62 -27.41 28.21 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 141' ' ' GLU . 8.5 tpt85 -61.23 -54.16 47.72 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.21 -31.93 73.06 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.403 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 21.1 mm-40 -71.63 -30.91 66.29 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.595 -0.691 . . . . 0.0 110.11 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.6 mm -78.81 -32.78 15.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.471 ' HG3' HD22 ' A' ' 15' ' ' LEU . 27.8 ttm -73.75 -39.69 64.04 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.343 -0.848 . . . . 0.0 108.899 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -70.8 -45.17 65.11 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 121.562 -0.711 . . . . 0.0 109.257 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 95.5 p -63.27 -38.28 90.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.634 -0.666 . . . . 0.0 109.671 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.777 ' HB3' HD21 ' A' ' 15' ' ' LEU . 38.0 t80 -68.81 -42.19 77.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.0 t -67.36 -32.86 74.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.408 -0.807 . . . . 0.0 109.379 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.859 HD22 ' HG3' ' A' ' 40' ' ' GLN . 38.0 mt -71.02 -36.13 72.27 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 24.5 m -69.55 -38.62 77.52 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.771 -0.581 . . . . 0.0 109.707 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.4 p -93.4 1.57 56.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.476 -0.765 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -60.27 -18.15 47.23 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.246 -0.909 . . . . 0.0 110.856 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.522 HD22 ' H ' ' A' ' 157' ' ' LEU . 3.2 mm? -58.55 -39.72 81.03 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.001 -1.062 . . . . 0.0 108.897 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -81.85 -33.55 30.59 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.57 -0.706 . . . . 0.0 109.302 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -65.45 -27.65 68.66 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.444 -0.785 . . . . 0.0 110.086 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 32.7 t -101.9 73.58 1.41 Allowed 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 29.0 tp -97.35 95.01 7.39 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.406 -0.809 . . . . 0.0 108.945 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -95.83 -55.71 2.91 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.472 -0.768 . . . . 0.0 109.496 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.7 t -134.99 133.12 39.13 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.423 -0.798 . . . . 0.0 109.531 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -135.01 78.94 1.76 Allowed 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.427 -179.513 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.743 ' HB2' HG21 ' A' ' 103' ' ' VAL . 2.2 t . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.739 0.78 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -140.25 93.1 2.59 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.574 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.1 mm? -77.4 -56.66 1.16 Allowed Pre-proline 0 C--O 1.216 -0.672 0 O-C-N 121.453 -0.779 . . . . 0.0 109.749 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.6 Cg_endo -73.83 112.55 3.56 Favored 'Trans proline' 0 C--N 1.356 0.95 0 O-C-N 123.487 1.257 . . . . 0.0 109.989 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -77.34 71.62 3.84 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 121.623 0.725 . . . . 0.0 109.711 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.9 p -108.24 -24.26 11.58 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.332 -0.855 . . . . 0.0 110.0 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -77.55 179.37 6.57 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.672 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.7 p -105.19 165.24 11.24 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.46 -0.775 . . . . 0.0 109.44 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 9' ' ' LEU . 7.0 mp -88.55 121.79 31.31 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.318 -0.864 . . . . 0.0 109.626 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.69 -15.08 80.84 Favored Glycine 0 CA--C 1.537 1.424 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.556 ' HB3' HG21 ' A' ' 155' ' ' THR . 71.1 m -60.85 -31.39 70.83 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.515 -0.991 . . . . 0.0 109.752 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -66.67 -43.58 84.13 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.489 -0.757 . . . . 0.0 109.819 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.7 ttp180 -74.11 -31.81 62.94 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.347 -0.846 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.504 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 21.0 m -61.93 -45.7 92.56 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.221 -0.924 . . . . 0.0 108.881 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.926 HD21 ' HB3' ' A' ' 151' ' ' PHE . 69.9 mt -69.25 -32.59 71.89 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.688 -0.632 . . . . 0.0 109.491 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 ttp -65.0 -35.08 80.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.374 -0.828 . . . . 0.0 108.846 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 84' ' ' PHE . 97.5 mt -66.48 -42.41 87.53 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD12 HD23 ' A' ' 15' ' ' LEU . 75.5 mt -61.24 -34.55 75.33 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.671 -0.643 . . . . 0.0 109.53 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.59 -46.87 74.54 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.625 -0.672 . . . . 0.0 109.298 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -69.09 -18.97 64.05 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.49 -0.756 . . . . 0.0 109.787 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.51 ' O ' ' CZ3' ' A' ' 76' ' ' TRP . 43.3 mtp -88.04 29.97 0.89 Allowed 'General case' 0 C--O 1.207 -1.149 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 24' ' ' ILE . 33.6 ttm-85 -102.64 117.29 34.35 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 120.868 -1.145 . . . . 0.0 108.72 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HE2' ' C ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -94.39 -31.53 13.96 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.466 -0.772 . . . . 0.0 109.574 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.815 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pt -129.1 171.51 16.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 121.629 -0.669 . . . . 0.0 109.474 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.0 m -94.42 147.1 23.57 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.9 tp -64.51 -32.13 73.64 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.36 -39.34 92.19 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -65.91 -26.53 67.65 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.438 -0.789 . . . . 0.0 109.304 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.815 ' SG ' HD12 ' A' ' 24' ' ' ILE . 54.4 m -106.66 46.75 0.91 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.6 mt -86.68 -2.34 58.45 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.159 -0.963 . . . . 0.0 109.839 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -82.55 -29.45 30.33 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.442 -0.786 . . . . 0.0 108.994 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -117.02 30.08 7.54 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.685 -0.635 . . . . 0.0 109.496 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -79.77 122.56 26.76 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.087 -1.008 . . . . 0.0 109.228 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -139.17 121.05 15.49 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.606 -0.684 . . . . 0.0 109.367 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -78.17 138.68 38.81 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.39 -0.819 . . . . 0.0 109.243 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 55.0 m-85 -92.53 -45.17 8.25 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.522 -0.736 . . . . 0.0 109.441 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 68.54 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 68.7 t80 -64.29 133.2 95.57 Favored Pre-proline 0 C--O 1.217 -0.634 0 O-C-N 121.587 -0.949 . . . . 0.0 108.784 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.7 Cg_endo -79.66 69.85 7.76 Favored 'Trans proline' 0 C--N 1.351 0.709 0 O-C-N 123.711 1.374 . . . . 0.0 111.29 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HG3' HD22 ' A' ' 153' ' ' LEU . 5.0 tm0? -77.49 -20.7 53.94 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.432 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.28 -32.72 62.62 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.26 41.53 1.11 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.514 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 4.1 m-85 -147.5 15.84 1.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.244 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.57 -9.41 3.23 Favored Glycine 0 CA--C 1.539 1.58 0 O-C-N 120.886 -1.134 . . . . 0.0 111.463 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -134.04 134.14 42.05 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 120.877 -1.366 . . . . 0.0 109.563 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 66.67 35.4 5.26 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.685 -0.635 . . . . 0.0 109.358 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.625 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 53.8 m-85 -136.88 36.49 2.61 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.282 -0.886 . . . . 0.0 109.679 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -125.86 171.54 10.62 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER 57.67 43.53 22.1 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.366 -0.834 . . . . 0.0 109.443 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . 65.82 77.82 0.28 Allowed 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.569 -0.707 . . . . 0.0 109.975 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -137.59 -49.71 0.6 Allowed 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.444 -0.785 . . . . 0.0 109.116 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.625 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 12.3 t -91.36 7.55 40.48 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.931 -0.481 . . . . 0.0 110.107 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.748 HG23 HD23 ' A' ' 95' ' ' LEU . 43.2 mt -58.07 -43.69 98.65 Favored Pre-proline 0 C--O 1.213 -0.84 0 O-C-N 120.952 -1.092 . . . . 0.0 110.151 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.95 -25.83 51.85 Favored 'Trans proline' 0 C--N 1.356 0.968 0 O-C-N 123.206 1.109 . . . . 0.0 110.238 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.731 ' HA ' HG12 ' A' ' 116' ' ' ILE . 5.2 t -74.41 -45.68 45.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 41.1 mt -63.04 -36.94 85.25 Favored 'General case' 0 C--O 1.21 -1.002 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 61.9 t-80 -61.22 -47.65 85.1 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.723 -0.611 . . . . 0.0 109.652 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.894 ' HG3' HD13 ' A' ' 116' ' ' ILE . 60.5 mm-40 -69.94 -28.84 65.91 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.465 -0.772 . . . . 0.0 109.758 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.1 ttt -68.59 -36.96 79.42 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.339 -0.85 . . . . 0.0 108.717 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.669 HG21 ' HG ' ' A' ' 92' ' ' LEU . 8.3 mm -67.21 -36.76 77.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 121.454 -0.778 . . . . 0.0 108.982 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -72.08 -35.35 69.21 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.606 -0.684 . . . . 0.0 109.404 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -67.64 -41.96 83.03 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.362 -0.836 . . . . 0.0 108.929 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 67' ' ' PHE . 85.3 mt -71.82 -27.35 27.51 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.618 ' HA ' HD13 ' A' ' 88' ' ' LEU . 44.9 t80 -66.82 -45.98 76.6 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 121.343 -0.848 . . . . 0.0 109.607 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.54 ' O ' HG23 ' A' ' 69' ' ' THR . 5.9 m120 -74.98 -36.11 62.04 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.536 -0.728 . . . . 0.0 109.567 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 130' ' ' LEU . 38.4 tp -63.15 -30.49 71.63 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.488 -0.758 . . . . 0.0 109.269 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.7 m-85 -99.74 -12.59 19.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.625 -0.672 . . . . 0.0 110.296 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -86.66 -20.25 28.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.11 -0.993 . . . . 0.0 109.768 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 65' ' ' ASN . 17.8 p -53.7 147.17 12.01 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.963 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -25.1 67.88 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.49 -0.756 . . . . 0.0 109.72 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.5 m-20 -72.16 -39.01 69.03 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.524 -0.735 . . . . 0.0 109.027 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.481 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 84.0 p -77.35 -32.37 55.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.681 -0.637 . . . . 0.0 109.405 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.537 ' HA ' HD12 ' A' ' 81' ' ' LEU . 32.9 t -66.95 -33.07 74.77 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.317 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.79 -24.63 33.31 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -33.27 66.69 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' MET . 63.5 m95 -119.55 174.18 6.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.566 -0.709 . . . . 0.0 109.852 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.72 131.17 44.14 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.375 -0.828 . . . . 0.0 108.865 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.14 -26.52 68.57 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.518 -0.739 . . . . 0.0 110.183 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.9 m -78.53 -46.32 19.8 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.218 -0.926 . . . . 0.0 108.856 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 80' ' ' LEU . 64.4 mt -62.4 -36.52 82.58 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.99 -34.72 69.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -55.34 -49.07 73.18 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.599 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 25.2 tptp -65.8 -37.68 86.92 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 17' ' ' LEU . 28.7 t80 -63.25 -26.79 68.95 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.955 -0.465 . . . . 0.0 109.765 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 22.7 m-85 -75.57 -49.47 18.49 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.042 -1.036 . . . . 0.0 108.996 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.0 m -62.58 -31.19 71.97 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.776 -0.578 . . . . 0.0 109.489 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' A' ' 14' ' ' THR . 16.5 tp10 -71.11 -40.05 71.71 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.392 -0.818 . . . . 0.0 109.077 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' A' ' 64' ' ' PHE . 67.8 mt -63.82 -44.9 91.86 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.611 -0.68 . . . . 0.0 109.291 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-85 -69.29 -28.94 66.72 Favored 'General case' 0 C--O 1.213 -0.868 0 O-C-N 121.346 -0.846 . . . . 0.0 110.084 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.58 -50.56 64.67 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.249 -0.907 . . . . 0.0 108.561 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.27 -25.78 67.03 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.669 ' HG ' HG21 ' A' ' 60' ' ' ILE . 18.1 mt -71.28 -34.0 70.26 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.458 -0.776 . . . . 0.0 109.235 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.85 -43.11 72.59 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.392 -0.818 . . . . 0.0 109.175 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -66.83 -45.95 76.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.496 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.748 HD23 HG23 ' A' ' 53' ' ' ILE . 63.6 mt -64.73 -33.8 76.83 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.855 -0.528 . . . . 0.0 110.227 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.53 ' HG2' HG13 ' A' ' 100' ' ' ILE . 87.7 tt0 -76.12 -30.19 58.12 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.555 -0.715 . . . . 0.0 110.038 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.23 -47.89 65.46 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.442 -0.786 . . . . 0.0 110.237 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.409 ' HA ' ' CA ' ' A' ' 1' ' ' CYS . 1.5 t -61.13 -45.13 95.94 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.433 -0.792 . . . . 0.0 109.216 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.18 -35.46 73.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 O-C-N 122.092 -0.38 . . . . 0.0 110.348 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.53 HG13 ' HG2' ' A' ' 96' ' ' GLU . 97.3 mt -67.42 -53.08 35.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 121.19 -0.944 . . . . 0.0 109.53 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -70.0 166.1 20.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.326 0.584 . . . . 0.0 110.037 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -92.44 47.71 2.59 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.743 HG21 ' HB2' ' A' ' 1' ' ' CYS . 21.9 t -83.09 166.07 2.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 O-C-N 121.465 -1.021 . . . . 0.0 108.57 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.485 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -53.94 113.92 3.63 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.1 t -142.4 152.24 18.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 O-C-N 121.647 -0.913 . . . . 0.0 108.58 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.1 p -66.22 129.37 39.6 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.4 -0.812 . . . . 0.0 109.71 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -158.08 -51.46 0.07 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.579 -0.701 . . . . 0.0 109.855 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.53 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 86.8 m -61.67 -52.39 69.62 Favored Pre-proline 0 C--O 1.217 -0.612 0 O-C-N 121.589 -0.694 . . . . 0.0 110.664 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 108' ' ' THR . 42.3 Cg_endo -68.76 169.17 18.19 Favored 'Trans proline' 0 C--N 1.354 0.864 0 O-C-N 123.435 1.229 . . . . 0.0 111.23 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.795 ' H ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.54 -8.26 59.62 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.593 -0.692 . . . . 0.0 110.719 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.516 ' N ' HD22 ' A' ' 110' ' ' LEU . 24.7 ptm -79.68 12.01 2.83 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.945 -1.097 . . . . 0.0 110.628 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 112' ' ' LYS . 6.8 ttpm? -56.05 -53.44 56.99 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.067 -1.021 . . . . 0.0 109.344 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -117.52 12.47 14.13 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.519 -0.738 . . . . 0.0 110.18 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -68.01 -37.65 81.68 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.029 -1.044 . . . . 0.0 108.809 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.621 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 47.7 m -64.9 -41.61 95.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.894 HD13 ' HG3' ' A' ' 58' ' ' GLU . 55.4 mt -65.96 -33.29 62.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 117' ' ' LEU . 16.4 mt -66.84 -33.65 76.08 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -68.67 -46.17 69.79 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.17 -23.28 30.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.4 ttt85 -70.86 -45.19 64.9 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.33 -0.856 . . . . 0.0 109.388 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.97 -32.18 70.27 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.425 -0.797 . . . . 0.0 108.903 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.663 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.5 t80 -63.63 -52.39 61.03 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -68.45 -27.92 66.59 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.757 -0.589 . . . . 0.0 110.232 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -63.7 -40.66 97.34 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -70.17 -34.08 72.56 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.663 HD11 ' CE2' ' A' ' 122' ' ' TYR . 62.7 mt -65.65 -36.54 77.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 O-C-N 121.423 -0.798 . . . . 0.0 109.108 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.0 m -66.78 -43.76 83.16 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.421 -0.799 . . . . 0.0 109.217 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.9 -34.74 78.82 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.424 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 89.2 t80 -59.48 -47.02 87.12 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 66' ' ' LEU . 73.2 mt -61.32 -37.16 82.25 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.02 -29.21 67.33 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.376 -0.827 . . . . 0.0 109.55 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.58 -52.15 28.76 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.536 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.9 mptt -82.25 3.38 27.69 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.84 -0.537 . . . . 0.0 109.839 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 5.0 mptp? 55.91 47.43 20.08 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.383 -0.823 . . . . 0.0 109.463 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 92.5 m-85 56.72 54.87 6.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.601 0.715 . . . . 0.0 109.88 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.486 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 36.9 t -80.56 152.64 72.96 Favored Pre-proline 0 C--O 1.215 -0.721 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.486 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.0 Cg_endo -63.24 -38.57 43.55 Favored 'Trans proline' 0 C--N 1.353 0.764 0 O-C-N 123.55 1.289 . . . . 0.0 110.819 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -71.69 -36.93 70.75 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.5 -41.77 96.24 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.591 -0.693 . . . . 0.0 109.148 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.481 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 19.8 m95 -66.03 -34.81 78.92 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.951 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.38 -42.95 87.17 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.113 -0.992 . . . . 0.0 108.772 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.5 t -59.9 -43.46 92.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 147' ' ' ILE . 62.8 t -68.69 -27.72 37.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.059 0 O-C-N 121.69 -0.631 . . . . 0.0 109.787 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.618 ' HA ' ' NE ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.21 -52.06 51.68 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.171 -0.956 . . . . 0.0 108.699 178.508 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.21 71.32 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -75.72 -30.25 59.21 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.509 -0.744 . . . . 0.0 109.996 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.4 mm -80.34 -35.29 15.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 121.414 -0.804 . . . . 0.0 109.54 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.478 ' HG3' HD22 ' A' ' 15' ' ' LEU . 31.9 ttm -73.22 -37.97 66.21 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -70.91 -48.91 51.08 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.623 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 89.4 p -61.12 -37.96 84.65 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.78 -0.575 . . . . 0.0 109.749 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.926 ' HB3' HD21 ' A' ' 15' ' ' LEU . 37.3 t80 -68.11 -41.95 81.02 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.523 -0.735 . . . . 0.0 109.591 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.3 m -65.8 -33.37 75.7 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.543 HD22 ' HG3' ' A' ' 40' ' ' GLN . 78.8 mt -69.91 -33.71 72.52 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.699 -0.626 . . . . 0.0 109.687 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.551 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 4.2 m -78.78 -27.47 44.55 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.193 -0.942 . . . . 0.0 109.591 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.556 HG21 ' HB3' ' A' ' 11' ' ' SER . 68.9 p -99.07 1.21 45.01 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.702 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 156' ' ' ASN . 0.1 OUTLIER -73.66 -2.07 21.6 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.803 -1.186 . . . . 0.0 110.836 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 157' ' ' LEU . 4.3 mm? -52.51 -46.75 66.81 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 120.971 -1.08 . . . . 0.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -25.15 60.31 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.334 -0.854 . . . . 0.0 109.677 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -72.61 -17.31 61.7 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.407 -0.808 . . . . 0.0 110.262 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.6 m -78.63 -57.42 3.77 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.383 -0.823 . . . . 0.0 109.356 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 161' ' ' LEU . 96.3 mt -105.4 125.64 51.22 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.471 -0.768 . . . . 0.0 109.145 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -69.45 -59.51 2.94 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.548 -0.72 . . . . 0.0 109.834 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 28.1 t -132.54 138.99 47.68 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.441 -0.787 . . . . 0.0 109.824 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -145.12 84.35 1.71 Allowed 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 118.255 -0.878 . . . . 0.0 109.341 -179.641 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.633 ' SG ' HG11 ' A' ' 103' ' ' VAL . 3.7 t . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.573 0.701 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -138.0 68.74 1.39 Allowed 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 4.5 mm? -59.28 -52.85 71.52 Favored Pre-proline 0 C--O 1.217 -0.628 0 O-C-N 121.545 -0.722 . . . . 0.0 109.841 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 48.3 Cg_endo -73.59 146.98 39.82 Favored 'Trans proline' 0 C--N 1.355 0.871 0 O-C-N 123.463 1.244 . . . . 0.0 110.289 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -91.24 78.82 5.76 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.35 -0.844 . . . . 0.0 108.973 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.5 p -142.2 59.46 1.46 Allowed 'General case' 0 C--O 1.218 -0.576 0 CA-C-O 121.335 0.588 . . . . 0.0 109.591 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.52 160.9 30.11 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.267 -0.896 . . . . 0.0 109.613 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -94.38 177.09 6.06 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.624 -0.673 . . . . 0.0 109.673 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.5 mt -87.04 76.41 9.34 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.335 -0.853 . . . . 0.0 109.423 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' HA2' ' NH2' ' A' ' 13' ' ' ARG . . . -69.29 -33.16 72.8 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' HG21 ' A' ' 155' ' ' THR . 37.8 m -63.71 -35.39 80.42 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.649 -0.912 . . . . 0.0 109.721 179.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 21.9 tpt180 -66.82 -38.78 87.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.521 -0.737 . . . . 0.0 109.38 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' HG3' ' A' ' 16' ' ' MET . 55.3 mtm-85 -67.17 -35.33 79.45 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.341 -0.849 . . . . 0.0 109.16 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.443 ' HA ' HD12 ' A' ' 17' ' ' LEU . 32.5 m -63.27 -41.3 99.0 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.383 -0.823 . . . . 0.0 109.24 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.817 HD21 ' HB3' ' A' ' 151' ' ' PHE . 22.2 mt -71.59 -31.18 66.66 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.591 . . . . 0.0 110.07 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -66.12 -32.16 73.45 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.273 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 84' ' ' PHE . 73.1 mt -64.79 -45.57 85.73 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 15' ' ' LEU . 81.8 mt -58.74 -39.87 82.17 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.899 -0.501 . . . . 0.0 109.869 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB2' ' HE1' ' A' ' 148' ' ' MET . . . -61.16 -42.41 98.51 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.441 -0.787 . . . . 0.0 109.885 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -75.2 -24.56 57.8 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.545 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 51.0 mtp -73.41 -19.28 61.01 Favored 'General case' 0 C--O 1.207 -1.156 0 O-C-N 121.29 -0.881 . . . . 0.0 110.774 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -68.71 118.83 12.2 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 120.844 -1.16 . . . . 0.0 109.693 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.9 mptp? -96.01 -34.71 11.66 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.689 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.845 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.1 pt -118.63 170.53 7.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 O-C-N 121.498 -0.751 . . . . 0.0 110.216 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -101.29 156.68 17.3 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.536 -0.727 . . . . 0.0 110.029 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.489 ' CD1' HG22 ' A' ' 142' ' ' VAL . 62.4 tp -68.07 -30.45 69.64 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -68.22 -38.15 81.58 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -67.98 -31.04 70.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.845 ' SG ' HD12 ' A' ' 24' ' ' ILE . 36.5 m -108.36 52.78 0.7 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.586 -0.697 . . . . 0.0 109.807 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -78.71 -1.97 37.07 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.067 -1.02 . . . . 0.0 110.254 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -76.97 -29.76 55.68 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.609 ' O ' HG21 ' A' ' 142' ' ' VAL . 3.0 m-20 -106.42 21.44 17.42 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.704 -0.622 . . . . 0.0 110.147 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.65 105.2 1.82 Allowed 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.067 -1.021 . . . . 0.0 109.249 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -147.21 122.31 10.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -82.14 126.05 31.6 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.381 -0.824 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB2' ' HE1' ' A' ' 122' ' ' TYR . 46.0 m-85 -76.61 -51.13 12.18 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.4 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.42 76.0 0.72 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.1 t80 -73.19 131.09 83.68 Favored Pre-proline 0 C--O 1.217 -0.615 0 O-C-N 121.491 -1.005 . . . . 0.0 108.712 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.658 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.5 Cg_endo -82.07 74.18 5.34 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 O-C-N 123.653 1.344 . . . . 0.0 111.191 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -77.73 -14.42 59.61 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.545 178.541 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.89 -32.71 69.75 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.102 -0.999 . . . . 0.0 109.112 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.55 ' HG2' ' CA ' ' A' ' 115' ' ' SER . 1.6 tp10 -96.29 30.57 2.46 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.47 -0.768 . . . . 0.0 108.982 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.573 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 9.4 m-85 -138.75 53.61 1.77 Allowed 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.399 -0.813 . . . . 0.0 108.832 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.912 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -152.74 -90.99 0.08 OUTLIER Glycine 0 C--O 1.217 -0.939 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -70.55 142.91 51.74 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.8 -0.824 . . . . 0.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 66.83 19.31 10.69 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.785 -0.572 . . . . 0.0 109.849 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 66.0 m-85 -142.09 34.65 1.54 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.194 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.797 ' CG ' HD12 ' A' ' 157' ' ' LEU . 71.6 mt-30 -131.87 28.77 4.49 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.29 -0.881 . . . . 0.0 109.845 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 11.4 mmmm -147.77 55.23 1.06 Allowed 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.0 30.79 19.8 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.762 -0.586 . . . . 0.0 109.694 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -101.06 -36.98 8.79 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.264 -0.897 . . . . 0.0 109.975 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.564 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 6.1 t -90.02 9.05 29.49 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.72 -0.613 . . . . 0.0 110.312 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.786 HG23 HD23 ' A' ' 95' ' ' LEU . 59.4 mt -60.25 -43.11 92.69 Favored Pre-proline 0 C--O 1.214 -0.792 0 O-C-N 121.026 -1.047 . . . . 0.0 110.514 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -65.91 -29.82 49.27 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 123.133 1.07 . . . . 0.0 110.106 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.769 ' HA ' HG12 ' A' ' 116' ' ' ILE . 11.8 t -73.38 -37.04 50.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.607 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 46.7 mt -71.67 -28.66 63.88 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 121.601 -0.687 . . . . 0.0 109.437 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.48 -40.65 70.12 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.36 -0.837 . . . . 0.0 108.949 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 116' ' ' ILE . 15.8 tp10 -75.88 -33.67 59.97 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.09 -47.21 71.9 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.282 -0.886 . . . . 0.0 108.998 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.506 HG12 ' HE1' ' A' ' 151' ' ' PHE . 6.7 mt -72.84 -20.87 19.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 121.707 -0.621 . . . . 0.0 109.582 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -76.07 -34.96 59.58 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -74.99 -33.28 61.82 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.677 -0.639 . . . . 0.0 109.339 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.8 mt -76.35 -33.19 23.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' HA ' HD13 ' A' ' 88' ' ' LEU . 37.0 t80 -63.37 -44.6 94.34 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.518 -0.739 . . . . 0.0 109.431 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.751 ' O ' HG23 ' A' ' 69' ' ' THR . 20.6 t-20 -79.53 -37.9 35.5 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.487 -0.758 . . . . 0.0 109.552 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.73 -32.16 68.96 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.462 -0.774 . . . . 0.0 109.469 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.428 ' CD2' ' HE1' ' A' ' 21' ' ' MET . 9.3 m-85 -96.01 -27.86 14.92 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.639 -0.663 . . . . 0.0 109.982 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.5 t -72.63 -20.86 61.2 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 65' ' ' ASN . 29.2 p -53.52 147.57 10.76 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.981 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -61.44 -22.44 65.03 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.691 -0.631 . . . . 0.0 110.082 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -76.27 -40.73 51.06 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.361 -0.837 . . . . 0.0 109.295 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.463 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 26.4 t -78.88 -29.82 44.63 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.434 -0.791 . . . . 0.0 109.149 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.473 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 28.8 t -66.23 -36.46 83.1 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.642 -0.661 . . . . 0.0 109.219 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.32 -27.44 32.24 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.89 71.47 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.549 -0.72 . . . . 0.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 65.3 m95 -119.83 170.18 9.46 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.384 -0.822 . . . . 0.0 109.912 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -66.48 133.68 50.89 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.38 -0.825 . . . . 0.0 108.797 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.21 -30.29 71.17 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.716 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -77.68 -43.55 30.86 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.08 -1.013 . . . . 0.0 109.155 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.4 -35.72 81.34 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.7 mt -73.39 -32.53 64.51 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.42 -51.88 67.95 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HD2' HD21 ' A' ' 17' ' ' LEU . 34.0 ttmt -64.53 -34.43 78.21 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.858 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.7 t80 -63.95 -33.09 74.93 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.771 -0.58 . . . . 0.0 109.601 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -73.22 -34.11 65.73 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 121.269 -0.894 . . . . 0.0 109.236 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.7 m -66.46 -42.13 88.04 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -32.15 69.46 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 84' ' ' PHE . 75.0 mt -70.35 -38.2 74.77 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.484 -0.76 . . . . 0.0 109.787 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -78.91 -33.18 45.74 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.636 -0.665 . . . . 0.0 110.644 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -71.56 -41.78 68.65 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -31.18 68.99 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.02 -44.56 79.95 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.6 -0.687 . . . . 0.0 109.559 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -61.53 -41.8 97.86 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.637 -0.664 . . . . 0.0 109.391 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -65.18 -43.59 91.19 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.522 -0.736 . . . . 0.0 109.279 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 53' ' ' ILE . 73.8 mt -62.9 -33.88 76.25 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.879 -0.513 . . . . 0.0 110.011 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.474 ' HG2' HG13 ' A' ' 100' ' ' ILE . 35.8 tt0 -75.72 -33.46 60.29 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 121.51 -0.744 . . . . 0.0 109.726 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.48 -43.7 68.4 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.479 -0.763 . . . . 0.0 109.584 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.561 ' SG ' HD13 ' A' ' 53' ' ' ILE . 51.5 m -62.51 -44.63 95.89 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.482 -0.761 . . . . 0.0 109.322 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.75 -38.27 81.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.862 -0.524 . . . . 0.0 110.462 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.474 HG13 ' HG2' ' A' ' 96' ' ' GLU . 96.9 mt -62.8 -51.12 76.0 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 O-C-N 121.332 -0.855 . . . . 0.0 109.559 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -72.52 -177.04 2.09 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.742 -0.599 . . . . 0.0 110.173 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.02 -15.69 65.4 Favored Glycine 0 CA--C 1.538 1.529 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.633 HG11 ' SG ' ' A' ' 1' ' ' CYS . 2.9 t -67.34 160.32 4.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 O-C-N 121.113 -1.228 . . . . 0.0 109.13 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.97 -104.63 0.26 Allowed Glycine 0 C--O 1.215 -1.04 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.701 HG11 ' HG3' ' A' ' 112' ' ' LYS . 27.6 m -120.46 156.48 23.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 O-C-N 121.417 -1.049 . . . . 0.0 110.242 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 43.8 p -114.89 -147.81 0.42 Allowed 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 108' ' ' THR . 46.4 mt-10 -50.43 -22.83 2.06 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.646 -0.659 . . . . 0.0 110.969 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 107' ' ' GLU . 32.7 m -29.03 128.82 0.23 Allowed Pre-proline 0 N--CA 1.478 0.941 0 O-C-N 122.045 -0.409 . . . . 0.0 111.515 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.75 174.66 7.28 Favored 'Trans proline' 0 C--N 1.352 0.715 0 O-C-N 124.153 1.607 . . . . 0.0 111.686 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 110' ' ' LEU . 34.3 tp -50.08 -13.25 0.1 Allowed 'General case' 0 CA--C 1.548 0.883 0 O-C-N 121.913 -0.492 . . . . 0.0 111.586 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -51.67 -22.45 3.44 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.919 -1.113 . . . . 0.0 110.263 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.701 ' HG3' HG11 ' A' ' 105' ' ' VAL . 3.6 tmmm? -57.34 -50.74 72.0 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.219 -0.925 . . . . 0.0 108.647 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.41 -31.14 72.22 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 121.616 -0.678 . . . . 0.0 109.246 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.26 -28.67 69.34 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.447 -0.783 . . . . 0.0 109.854 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.55 ' CA ' ' HG2' ' A' ' 42' ' ' GLU . 32.4 t -71.24 -40.13 71.24 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 121.267 -0.895 . . . . 0.0 108.773 178.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.769 HG12 ' HA ' ' A' ' 55' ' ' VAL . 28.0 mt -75.23 -37.88 40.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -32.24 73.84 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.658 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.26 -48.99 66.09 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.15 -26.59 40.16 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.9 ttm-85 -71.54 -44.18 65.06 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.203 -0.935 . . . . 0.0 109.886 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.13 -30.94 63.97 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.302 -0.874 . . . . 0.0 109.289 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.668 ' CE2' HD11 ' A' ' 126' ' ' ILE . 36.1 t80 -67.03 -47.93 69.88 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.563 -0.71 . . . . 0.0 109.167 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -69.25 -27.53 65.53 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.702 -0.624 . . . . 0.0 109.827 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -63.93 -40.53 96.68 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 31.6 tpt180 -67.59 -39.06 84.84 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.668 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.6 mt -59.99 -40.78 84.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 24.8 m -65.63 -42.07 91.9 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.3 tt -63.44 -37.01 85.64 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.453 -0.779 . . . . 0.0 109.443 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.432 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 19.9 t80 -64.69 -38.23 90.29 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.1 mt -66.31 -37.9 86.45 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 127' ' ' THR . 32.0 mmtp -69.12 -32.26 71.53 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.98 -50.88 60.89 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.562 -0.712 . . . . 0.0 109.997 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.553 ' HB3' ' CB ' ' A' ' 136' ' ' SER . 5.5 mptp? -83.99 4.43 29.85 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.718 -0.614 . . . . 0.0 110.022 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 54.82 48.32 20.36 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.428 -0.795 . . . . 0.0 109.231 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 58.28 56.59 4.38 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.596 -0.69 . . . . 0.0 109.881 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.553 ' CB ' ' HB3' ' A' ' 133' ' ' LYS . 46.9 t -83.95 148.94 55.2 Favored Pre-proline 0 C--O 1.216 -0.687 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.41 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.4 Cg_endo -65.26 -33.15 49.8 Favored 'Trans proline' 0 C--N 1.353 0.773 0 O-C-N 123.66 1.347 . . . . 0.0 111.176 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.98 -42.71 72.74 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.456 -0.778 . . . . 0.0 108.959 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.541 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.23 -40.04 93.55 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 17.2 m95 -63.2 -36.7 84.52 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.708 -0.62 . . . . 0.0 109.811 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.571 ' HG3' HG13 ' A' ' 24' ' ' ILE . 15.8 tm-20 -65.58 -41.99 92.25 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.609 HG21 ' O ' ' A' ' 32' ' ' ASP . 64.1 t -63.23 -35.63 72.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.5 t -75.6 -23.92 16.84 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 121.689 -0.632 . . . . 0.0 109.523 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.495 ' HA ' ' NH1' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -66.45 -54.25 26.22 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.31 78.03 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.447 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 5.8 mm-40 -70.01 -35.82 74.66 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.622 -0.674 . . . . 0.0 110.407 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -76.24 -30.98 20.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 109.869 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.423 ' HE1' ' HB2' ' A' ' 19' ' ' ALA . 30.0 ttm -72.52 -38.98 67.91 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.392 -0.818 . . . . 0.0 109.12 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -73.38 -46.85 46.54 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.539 -0.725 . . . . 0.0 109.513 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.7 m -60.91 -42.98 99.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.711 -0.618 . . . . 0.0 109.952 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.817 ' HB3' HD21 ' A' ' 15' ' ' LEU . 51.3 t80 -66.31 -41.45 89.67 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.419 -0.8 . . . . 0.0 110.103 -179.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.2 p -68.34 -31.7 71.28 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.372 -0.83 . . . . 0.0 109.438 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.439 HD22 ' HG3' ' A' ' 40' ' ' GLN . 33.2 mt -69.41 -40.94 77.0 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.456 -0.778 . . . . 0.0 109.608 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.607 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 74.4 m -73.68 -30.36 62.84 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.716 -0.615 . . . . 0.0 110.322 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.591 HG21 ' CE2' ' A' ' 151' ' ' PHE . 81.8 p -97.86 -0.75 44.48 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.217 -0.927 . . . . 0.0 111.008 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.63 1.69 25.26 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 120.822 -1.174 . . . . 0.0 110.372 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.912 HD11 ' HA2' ' A' ' 44' ' ' GLY . 4.3 mm? -69.35 -28.84 66.56 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 120.961 -1.087 . . . . 0.0 110.068 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -79.91 -35.01 38.52 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.207 -0.933 . . . . 0.0 109.634 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 160' ' ' SER . 36.6 tp10 -82.51 -28.84 30.84 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.326 -0.859 . . . . 0.0 109.957 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.526 ' C ' ' O ' ' A' ' 159' ' ' GLU . 74.0 m 2.75 87.35 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.929 0.892 . . . . 0.0 112.41 -178.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.443 HD23 ' C ' ' A' ' 161' ' ' LEU . 4.4 tt -61.46 101.55 0.18 Allowed 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.25 -49.03 0.13 Allowed 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.421 -0.799 . . . . 0.0 109.013 -178.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 80.7 p -64.69 159.54 21.91 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.558 -0.714 . . . . 0.0 109.726 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -98.22 52.35 1.04 Allowed 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.427 -0.796 . . . . 0.0 109.632 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.417 179.609 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.584 ' HB2' HG21 ' A' ' 103' ' ' VAL . 3.1 t . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.515 0.674 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -113.13 66.23 0.65 Allowed 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 121.314 0.578 . . . . 0.0 109.86 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.631 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.2 mm? -83.14 -56.79 0.45 Allowed Pre-proline 0 C--O 1.216 -0.665 0 O-C-N 121.422 -0.798 . . . . 0.0 108.949 178.316 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 54.6 Cg_endo -81.69 156.01 18.37 Favored 'Trans proline' 0 C--N 1.355 0.888 0 O-C-N 123.584 1.307 . . . . 0.0 110.458 178.678 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -114.68 77.73 1.09 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.303 -0.873 . . . . 0.0 108.934 179.38 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.1 p -122.25 -23.94 5.18 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.5 -0.75 . . . . 0.0 110.875 -178.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -86.59 -179.51 6.62 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 120.978 -1.076 . . . . 0.0 110.045 -178.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -103.05 177.7 4.76 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.611 -0.681 . . . . 0.0 109.473 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 9' ' ' LEU . 3.8 mm? -82.28 105.21 13.17 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.88 -30.32 63.73 Favored Glycine 0 CA--C 1.534 1.248 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' HG21 ' A' ' 155' ' ' THR . 60.9 p -62.77 -41.26 99.16 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.434 -1.039 . . . . 0.0 109.841 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.81 -38.31 88.6 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.611 -0.681 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -70.21 -36.22 74.41 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.384 -0.823 . . . . 0.0 109.735 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.1 m -60.34 -45.58 92.95 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.429 -0.794 . . . . 0.0 109.116 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 151' ' ' PHE . 21.6 mt -67.19 -34.43 77.51 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.738 -0.601 . . . . 0.0 109.439 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -63.12 -37.93 89.16 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.315 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' A' ' 84' ' ' PHE . 85.2 mt -61.76 -43.62 98.5 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.659 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.625 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 76.8 mt -58.16 -35.05 70.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.708 -0.62 . . . . 0.0 109.839 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.37 -34.67 72.87 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.41 -0.807 . . . . 0.0 109.814 179.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.76 -50.32 44.46 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.314 -0.866 . . . . 0.0 110.496 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -63.78 -18.17 63.81 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.359 -0.838 . . . . 0.0 110.934 -178.581 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -52.28 109.07 0.35 Allowed 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.244 -0.91 . . . . 0.0 109.418 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 0.9 OUTLIER -92.88 -36.75 12.64 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.698 -0.626 . . . . 0.0 109.811 -179.738 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.734 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -124.07 170.38 14.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.541 -0.724 . . . . 0.0 110.002 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -104.01 159.9 15.28 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.61 -0.681 . . . . 0.0 109.875 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' HG22 ' A' ' 142' ' ' VAL . 36.7 tp -68.82 -28.11 66.46 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.669 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.16 -37.97 78.49 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.487 -0.758 . . . . 0.0 109.119 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -68.2 -28.7 67.49 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.408 -0.807 . . . . 0.0 108.885 177.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.734 ' SG ' HD12 ' A' ' 24' ' ' ILE . 58.2 m -109.57 51.87 0.74 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.599 -0.688 . . . . 0.0 109.96 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD23 ' HD3' ' A' ' 33' ' ' ARG . 72.2 mt -81.31 -2.67 49.94 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 179.072 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -79.02 -33.53 44.77 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.628 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.9 m-20 -111.08 25.32 11.88 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.875 -0.516 . . . . 0.0 109.779 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HD3' HD23 ' A' ' 30' ' ' LEU . 60.6 ttp180 -74.3 112.13 10.16 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 120.973 -1.079 . . . . 0.0 109.071 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -146.25 115.0 6.86 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -78.52 129.1 34.46 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 71.8 m-85 -75.27 -44.77 44.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.534 -0.729 . . . . 0.0 109.703 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.87 78.61 1.02 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 91.8 t80 -67.46 133.67 92.94 Favored Pre-proline 0 C--O 1.217 -0.61 0 O-C-N 121.621 -0.929 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.61 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.3 Cg_endo -82.43 70.82 6.8 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 O-C-N 123.718 1.378 . . . . 0.0 111.091 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -73.53 -15.71 61.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 177.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.35 -33.1 69.18 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.27 -0.894 . . . . 0.0 109.494 178.466 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.636 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 28.9 tp10 -93.84 24.37 4.23 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.326 -0.858 . . . . 0.0 109.515 178.594 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.511 ' O ' HD11 ' A' ' 157' ' ' LEU . 17.1 m-85 -133.27 9.02 4.03 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.243 -0.911 . . . . 0.0 109.759 178.602 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.407 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -98.55 -92.76 1.99 Allowed Glycine 0 C--O 1.217 -0.949 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -178.552 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 14.0 t-20 -67.39 147.95 52.24 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.86 -0.788 . . . . 0.0 109.356 -179.306 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 87.8 mm-40 70.86 12.22 7.12 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.935 -0.478 . . . . 0.0 109.834 -178.034 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 67.3 m-85 -146.69 35.56 0.95 Allowed 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.485 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -95.84 31.05 2.18 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.18 -0.95 . . . . 0.0 110.617 -178.314 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HG3' ' HG2' ' A' ' 51' ' ' GLU . 54.7 pttt -177.09 -133.46 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.173 -0.954 . . . . 0.0 109.104 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.775 ' HB1' HD11 ' A' ' 53' ' ' ILE . . . -89.71 54.28 2.82 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.049 -1.032 . . . . 0.0 109.24 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.544 ' HG2' ' HG3' ' A' ' 49' ' ' LYS . 6.9 mm-40 -114.15 -37.28 4.46 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.378 -0.826 . . . . 0.0 109.699 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 11.5 t -89.28 17.32 6.18 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.667 -0.645 . . . . 0.0 110.053 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.804 HG23 HD23 ' A' ' 95' ' ' LEU . 71.3 mt -60.67 -44.63 95.86 Favored Pre-proline 0 C--O 1.214 -0.803 0 O-C-N 121.159 -0.963 . . . . 0.0 110.87 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.66 -29.19 60.43 Favored 'Trans proline' 0 C--N 1.356 0.969 0 O-C-N 123.096 1.051 . . . . 0.0 109.956 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.643 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.3 t -75.52 -38.32 38.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.54 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.568 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 63.3 mt -69.25 -27.08 65.13 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 121.508 -0.745 . . . . 0.0 109.15 178.535 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -71.57 -46.02 60.59 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.322 -0.861 . . . . 0.0 109.261 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HB3' HG23 ' A' ' 116' ' ' ILE . 2.0 mp0 -76.72 -26.63 54.86 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.443 -0.785 . . . . 0.0 110.07 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.419 ' HG3' HG11 ' A' ' 119' ' ' VAL . 13.9 ttt -73.89 -44.52 55.04 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.186 -0.946 . . . . 0.0 108.869 179.19 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.423 HG12 ' HE2' ' A' ' 151' ' ' PHE . 6.5 mt -71.44 -23.8 23.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.067 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -71.67 -37.18 70.79 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 176.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.94 -40.12 79.17 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.656 -0.653 . . . . 0.0 109.309 178.576 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.489 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.6 mt -70.25 -30.82 44.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.647 ' HA ' HD13 ' A' ' 88' ' ' LEU . 26.1 t80 -62.65 -46.7 87.01 Favored 'General case' 0 C--O 1.21 -0.98 0 O-C-N 121.445 -0.784 . . . . 0.0 109.791 -179.148 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 69' ' ' THR . 35.4 m120 -79.63 -32.92 41.77 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.54 -0.725 . . . . 0.0 110.008 -179.024 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 130' ' ' LEU . 45.4 tp -62.41 -31.69 72.42 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.49 -0.756 . . . . 0.0 109.52 179.427 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.5 m-85 -99.18 -25.27 14.58 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.549 -0.719 . . . . 0.0 110.055 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.485 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 10.0 t -73.82 -16.55 61.14 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.985 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 65' ' ' ASN . 15.7 p -56.9 149.08 19.35 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.265 -0.897 . . . . 0.0 109.953 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.98 -24.75 68.05 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 179.3 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 7.6 m-20 -72.31 -42.98 64.84 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.492 -0.755 . . . . 0.0 109.444 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -72.08 -34.64 68.84 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.425 -0.797 . . . . 0.0 109.344 179.199 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' ' 81' ' ' LEU . 26.7 t -64.91 -31.36 72.56 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.702 -0.624 . . . . 0.0 109.59 179.239 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.44 -30.26 27.42 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.281 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.19 77.41 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.648 -0.658 . . . . 0.0 109.964 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.484 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 69.7 m95 -106.2 173.99 6.08 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -178.442 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.15 131.24 43.27 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -62.83 -27.89 69.64 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.491 -0.756 . . . . 0.0 110.625 -178.261 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -77.95 -44.08 27.87 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.093 -1.005 . . . . 0.0 108.949 179.123 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 80' ' ' LEU . 92.4 mt -63.56 -37.38 87.11 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.807 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -72.23 -32.69 66.94 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.657 -0.652 . . . . 0.0 109.244 177.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -56.14 -51.67 67.13 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -64.26 -34.87 79.11 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.178 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 88' ' ' LEU . 22.2 t80 -64.06 -30.79 71.84 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 121.756 -0.59 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.4 m-85 -73.81 -36.62 65.0 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.233 -0.917 . . . . 0.0 108.822 178.291 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.5 m -67.77 -38.43 83.38 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.76 -0.588 . . . . 0.0 109.637 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -71.12 -37.21 72.34 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.239 -0.913 . . . . 0.0 109.639 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 64' ' ' PHE . 75.0 mt -67.39 -38.9 85.41 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.522 -0.736 . . . . 0.0 109.737 179.286 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -77.08 -34.48 56.93 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.532 -0.73 . . . . 0.0 110.631 -177.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -71.05 -39.92 71.99 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.039 -1.038 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -68.19 -31.95 71.84 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.18 -48.49 70.52 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.63 -0.668 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -59.13 -39.28 81.85 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.677 -0.64 . . . . 0.0 110.002 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.9 -43.94 82.1 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.38 -0.825 . . . . 0.0 108.94 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.804 HD23 HG23 ' A' ' 53' ' ' ILE . 60.1 mt -62.18 -32.2 72.81 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 121.035 0.445 . . . . 0.0 110.068 179.507 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.542 ' O ' HG12 ' A' ' 100' ' ' ILE . 35.1 tt0 -78.01 -35.95 49.32 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 121.465 -0.772 . . . . 0.0 109.557 179.83 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.61 -41.63 66.84 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.649 -0.657 . . . . 0.0 109.627 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.785 ' SG ' HD13 ' A' ' 53' ' ' ILE . 87.7 m -59.82 -44.58 93.97 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.525 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.25 -30.05 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.158 -179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 96' ' ' GLU . 37.8 mm -69.42 -52.13 35.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 O-C-N 121.173 -0.954 . . . . 0.0 110.507 -178.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -83.69 34.7 0.49 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.223 -0.923 . . . . 0.0 111.458 -176.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 42.93 51.75 5.84 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.592 ' O ' HG22 ' A' ' 105' ' ' VAL . 75.9 t -78.7 166.91 2.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 121.388 -1.066 . . . . 0.0 108.734 179.122 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.529 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -40.26 104.51 0.04 OUTLIER Glycine 0 CA--C 1.537 1.423 0 O-C-N 121.674 -0.641 . . . . 0.0 111.676 -177.694 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 103' ' ' VAL . 24.1 m -152.66 -179.56 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.347 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.442 ' O ' ' HD2' ' A' ' 112' ' ' LYS . 37.7 p -126.51 149.78 49.16 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.2 -0.937 . . . . 0.0 109.475 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -100.58 -38.77 8.22 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.6 p -78.97 147.49 70.22 Favored Pre-proline 0 C--O 1.217 -0.616 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -73.19 89.79 0.9 Allowed 'Trans proline' 0 C--O 1.217 -0.573 0 O-C-N 123.58 1.305 . . . . 0.0 111.553 -178.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.8 tp -122.77 -64.48 1.18 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 ptm -111.57 -23.43 10.7 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 13.9 ptmm? -68.74 -38.5 80.21 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.374 -0.829 . . . . 0.0 110.625 -179.222 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 52.6 tt0 -97.72 -39.35 9.1 Favored 'General case' 0 C--O 1.208 -1.115 0 O-C-N 121.186 -0.946 . . . . 0.0 110.323 -178.079 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -60.08 -36.22 76.89 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.196 -0.94 . . . . 0.0 110.458 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.636 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 6.4 t -74.14 -44.9 51.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.174 -0.954 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.643 HG12 ' HA ' ' A' ' 55' ' ' VAL . 75.6 mt -68.76 -32.51 55.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 O-C-N 121.26 -0.9 . . . . 0.0 109.13 178.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 2.8 tt -64.83 -39.44 93.58 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.61 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -63.23 -49.17 75.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.354 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 59' ' ' MET . 95.9 t -64.4 -24.81 36.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 121.706 -0.621 . . . . 0.0 109.381 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 124' ' ' GLN . 35.2 mtt-85 -72.23 -41.48 66.77 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.214 -0.929 . . . . 0.0 109.785 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -70.13 -32.57 70.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.366 -0.834 . . . . 0.0 108.881 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 64.6 t80 -65.64 -51.24 61.13 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.46 -21.76 61.92 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 121.864 -0.523 . . . . 0.0 110.288 179.438 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 120' ' ' ARG . 35.8 tt0 -67.3 -41.36 85.51 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.023 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -68.42 -37.36 80.22 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.505 HD11 ' CE2' ' A' ' 122' ' ' TYR . 61.6 mt -65.4 -37.77 80.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 121.606 -0.684 . . . . 0.0 109.475 178.858 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.0 m -69.7 -41.65 75.1 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.471 -0.768 . . . . 0.0 109.34 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -67.96 -31.11 70.6 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.145 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 27.6 t80 -65.99 -37.9 87.12 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.41 -0.806 . . . . 0.0 109.157 178.723 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.574 ' CD1' HD11 ' A' ' 66' ' ' LEU . 71.9 mt -68.54 -41.41 79.87 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.688 -0.633 . . . . 0.0 109.439 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -69.54 -29.07 66.58 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.666 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -71.47 -49.69 38.89 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.39 -0.818 . . . . 0.0 109.967 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 14.3 mptt -82.71 3.4 29.27 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.554 -0.716 . . . . 0.0 109.805 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp 55.22 49.1 17.95 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 121.441 -0.787 . . . . 0.0 109.67 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.0 m-85 55.82 54.49 8.1 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 121.452 0.644 . . . . 0.0 110.167 179.325 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.424 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.9 t -79.58 149.86 72.18 Favored Pre-proline 0 C--O 1.215 -0.735 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.424 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.5 Cg_endo -63.04 -37.23 54.33 Favored 'Trans proline' 0 C--N 1.351 0.69 0 O-C-N 123.643 1.338 . . . . 0.0 110.744 179.349 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.66 -39.58 73.49 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -62.72 -42.24 99.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.597 -0.69 . . . . 0.0 109.169 178.895 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -65.57 -34.07 77.4 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.59 -0.693 . . . . 0.0 109.754 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.614 ' CG ' HG13 ' A' ' 24' ' ' ILE . 2.9 tm-20 -63.68 -47.6 80.56 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.302 -0.874 . . . . 0.0 108.727 179.105 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.628 HG21 ' O ' ' A' ' 32' ' ' ASP . 75.5 t -60.0 -42.63 90.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.494 HG13 ' CG2' ' A' ' 126' ' ' ILE . 64.0 t -69.05 -23.27 26.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.698 -0.626 . . . . 0.0 109.587 178.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.438 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 29.7 ttp85 -70.12 -47.89 59.85 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.193 -0.942 . . . . 0.0 108.779 179.225 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.28 71.14 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.204 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.8 -35.42 69.96 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.623 -0.673 . . . . 0.0 109.986 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 mm -77.75 -33.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 O-C-N 121.416 -0.802 . . . . 0.0 109.459 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.69 -40.17 69.72 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.416 -0.803 . . . . 0.0 108.903 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -69.36 -44.34 71.77 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.676 -0.64 . . . . 0.0 109.403 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.53 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.7 p -63.02 -41.92 99.67 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.869 -0.519 . . . . 0.0 109.957 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.748 ' HB3' HD21 ' A' ' 15' ' ' LEU . 41.1 t80 -69.41 -37.78 77.61 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.431 -0.793 . . . . 0.0 109.603 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.8 m -68.91 -34.2 75.0 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.335 -0.853 . . . . 0.0 109.313 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.442 HD13 ' HD2' ' A' ' 38' ' ' PHE . 36.5 mt -66.24 -47.6 73.22 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.286 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.568 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 71.8 m -64.71 -36.64 84.93 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.972 -0.455 . . . . 0.0 110.362 -179.072 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 11' ' ' SER . 65.5 p -90.15 -4.65 57.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.607 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -71.37 -12.09 61.24 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.062 -1.024 . . . . 0.0 109.89 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 43' ' ' PHE . 4.2 mm? -65.58 -29.77 70.41 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.206 -0.934 . . . . 0.0 109.607 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -61.08 -40.3 93.16 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.414 -0.803 . . . . 0.0 109.257 179.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 161' ' ' LEU . 8.9 pt-20 -160.31 117.79 2.52 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.145 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 27.1 t -92.59 73.15 5.09 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.441 0.638 . . . . 0.0 109.488 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.556 ' CD1' ' HB2' ' A' ' 159' ' ' GLU . 10.5 mp -88.85 143.55 26.81 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.448 -0.783 . . . . 0.0 109.659 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -118.65 53.89 0.97 Allowed 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.5 p -109.68 74.42 0.89 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.39 -0.819 . . . . 0.0 109.017 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -111.89 51.85 0.78 Allowed 'General case' 0 C--O 1.219 -0.521 0 O-C-N 121.431 -0.793 . . . . 0.0 109.325 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.532 179.96 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.593 ' CB ' HG21 ' A' ' 103' ' ' VAL . 2.9 t . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.586 0.707 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -95.98 63.22 2.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.551 0.691 . . . . 0.0 109.413 -179.374 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.572 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.5 mm? -77.31 -55.31 1.36 Allowed Pre-proline 0 C--O 1.216 -0.662 0 O-C-N 121.484 -0.76 . . . . 0.0 109.193 179.206 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 51.9 Cg_endo -77.79 156.08 31.09 Favored 'Trans proline' 0 C--N 1.354 0.858 0 O-C-N 123.536 1.282 . . . . 0.0 110.004 178.461 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -93.91 61.66 3.04 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.385 -0.822 . . . . 0.0 109.082 179.246 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.2 p -137.27 24.42 2.97 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.58 -0.7 . . . . 0.0 109.906 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -99.64 -175.57 3.02 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.076 -1.015 . . . . 0.0 109.428 179.515 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.5 p -151.6 -174.72 4.93 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.492 -0.755 . . . . 0.0 109.422 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? -87.1 87.28 7.41 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.233 -0.917 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.37 -28.4 73.69 Favored Glycine 0 CA--C 1.536 1.35 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.82 ' HB3' HG21 ' A' ' 155' ' ' THR . 69.9 m -63.6 -33.19 75.06 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.623 -0.927 . . . . 0.0 109.698 178.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.1 -38.21 87.67 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.419 -0.8 . . . . 0.0 109.557 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 66.4 ttt180 -70.18 -39.39 75.29 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.395 -0.816 . . . . 0.0 109.38 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -59.08 -42.58 90.74 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.561 -0.712 . . . . 0.0 109.15 178.68 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.918 HD21 ' HB3' ' A' ' 151' ' ' PHE . 81.4 mt -69.04 -34.09 74.66 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.735 -0.603 . . . . 0.0 109.528 178.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.9 ttp -61.61 -36.19 80.01 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 87' ' ' GLU . 79.4 mt -64.6 -44.09 91.72 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.449 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.765 HD12 HD23 ' A' ' 15' ' ' LEU . 57.0 mt -58.74 -28.89 66.29 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.957 -0.464 . . . . 0.0 110.018 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.34 -42.73 35.54 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.443 -0.785 . . . . 0.0 109.636 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.14 -29.37 69.65 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.517 -0.739 . . . . 0.0 110.243 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.673 ' HE2' ' HD2' ' A' ' 144' ' ' ARG . 5.2 ptm -90.53 31.31 1.04 Allowed 'General case' 0 C--O 1.208 -1.086 0 O-C-N 121.36 -0.838 . . . . 0.0 110.48 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -100.99 112.34 24.77 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 176.569 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 4.6 mptp? -87.96 -31.88 19.16 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.486 -0.759 . . . . 0.0 109.986 -178.168 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.939 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -129.03 169.81 19.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.503 -0.748 . . . . 0.0 110.488 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -97.76 155.43 17.03 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 109.738 -179.371 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HA ' ' OE1' ' A' ' 141' ' ' GLU . 43.4 tp -66.81 -30.31 70.47 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.651 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -70.41 -35.5 73.48 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.174 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 m -69.33 -29.92 67.86 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.939 ' SG ' HD12 ' A' ' 24' ' ' ILE . 19.6 m -106.58 50.39 0.77 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.446 -0.784 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD23 ' HD3' ' A' ' 33' ' ' ARG . 69.0 mt -80.07 -2.86 46.17 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.106 -0.996 . . . . 0.0 110.107 178.54 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -80.06 -27.26 39.4 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.594 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.6 m-20 -113.72 26.88 9.99 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.631 -0.668 . . . . 0.0 109.897 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HD3' HD23 ' A' ' 30' ' ' LEU . 58.5 ttp180 -76.0 120.61 21.56 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.069 -1.02 . . . . 0.0 108.8 179.335 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -146.55 134.46 21.35 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.531 -0.73 . . . . 0.0 109.464 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -85.8 124.32 32.17 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.562 -0.711 . . . . 0.0 109.153 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 63.7 m-85 -82.3 -50.89 8.45 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.532 -0.73 . . . . 0.0 109.673 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.43 71.73 0.76 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.54 ' HA ' ' CD1' ' A' ' 122' ' ' TYR . 84.7 t80 -74.07 135.6 76.71 Favored Pre-proline 0 C--O 1.217 -0.609 0 O-C-N 121.517 -0.99 . . . . 0.0 109.489 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.608 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.6 Cg_endo -86.24 78.41 2.15 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 O-C-N 123.877 1.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.2 tm0? -83.1 -12.92 56.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.188 -0.945 . . . . 0.0 109.573 178.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.15 -25.28 67.66 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.009 -1.057 . . . . 0.0 108.971 177.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.8 tp10 -90.72 17.11 8.04 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 177.658 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.625 ' CD2' HG21 ' A' ' 52' ' ' THR . 29.7 m-85 -131.26 43.25 3.11 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.33 -0.856 . . . . 0.0 108.805 179.555 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.19 -95.09 0.56 Allowed Glycine 0 C--O 1.217 -0.921 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -178.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 6.8 m120 -78.66 147.43 33.56 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.721 -0.87 . . . . 0.0 108.886 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 93.4 mm-40 66.34 13.32 9.15 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.709 -0.619 . . . . 0.0 109.455 -177.022 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 115' ' ' SER . 86.3 m-85 -145.39 60.48 1.29 Allowed 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -155.7 165.07 37.64 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.443 -0.786 . . . . 0.0 109.167 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 tttt 66.47 53.65 0.95 Allowed 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -179.14 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.58 26.9 14.85 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.661 -0.65 . . . . 0.0 111.186 179.127 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -98.58 -28.88 13.37 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 120.92 -1.113 . . . . 0.0 110.218 179.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.625 HG21 ' CD2' ' A' ' 43' ' ' PHE . 2.0 m -86.92 3.45 45.6 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.64 -0.662 . . . . 0.0 110.081 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.867 HG23 HD23 ' A' ' 95' ' ' LEU . 57.0 mt -55.13 -42.15 94.4 Favored Pre-proline 0 C--O 1.212 -0.889 0 O-C-N 121.19 -0.944 . . . . 0.0 111.439 -179.012 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.5 Cg_endo -65.87 -33.11 44.11 Favored 'Trans proline' 0 C--N 1.356 0.952 0 O-C-N 123.035 1.018 . . . . 0.0 110.942 179.11 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.787 ' HA ' HG12 ' A' ' 116' ' ' ILE . 8.6 t -76.35 -37.3 31.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.647 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 69.2 mt -68.1 -31.46 71.09 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.6 -0.687 . . . . 0.0 109.206 179.238 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 60.0 t-80 -68.6 -50.49 51.13 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.683 ' HG2' HG21 ' A' ' 116' ' ' ILE . 30.0 tp10 -64.98 -37.2 86.88 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.522 -0.736 . . . . 0.0 109.588 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.5 ttt -61.05 -48.07 83.46 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.331 -0.856 . . . . 0.0 108.715 178.049 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.632 HG21 ' HG ' ' A' ' 92' ' ' LEU . 2.0 mm -57.4 -29.54 33.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.779 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -51.87 43.05 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 178.819 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -60.53 -34.88 74.77 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 121.337 -0.852 . . . . 0.0 110.413 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.496 HG23 ' CE1' ' A' ' 67' ' ' PHE . 71.1 mt -73.26 -33.53 41.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 O-C-N 121.214 -0.929 . . . . 0.0 108.543 178.38 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.696 ' HA ' HD13 ' A' ' 88' ' ' LEU . 33.7 t80 -61.74 -46.98 87.29 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.419 -0.801 . . . . 0.0 109.653 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 69' ' ' THR . 53.0 t30 -75.64 -38.32 58.96 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.638 -0.664 . . . . 0.0 109.539 -179.505 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 130' ' ' LEU . 32.4 tp -59.55 -31.98 69.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.455 -0.778 . . . . 0.0 109.213 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.496 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.0 m-85 -96.76 -18.31 19.7 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.684 -0.635 . . . . 0.0 109.906 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.3 t -86.85 -15.23 39.76 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.066 179.472 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 65' ' ' ASN . 12.4 p -54.47 148.21 12.52 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.301 -0.874 . . . . 0.0 109.814 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -63.52 -26.09 68.55 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.515 -0.741 . . . . 0.0 109.597 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.6 m-20 -72.56 -39.97 67.02 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.474 -0.766 . . . . 0.0 109.222 178.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.561 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 97.5 p -76.72 -31.15 56.98 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.542 -0.723 . . . . 0.0 109.814 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.501 ' HA ' HD12 ' A' ' 81' ' ' LEU . 32.5 t -68.27 -32.15 72.11 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.529 -0.732 . . . . 0.0 109.674 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.56 -21.09 28.69 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.551 -0.718 . . . . 0.0 109.46 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.08 -26.59 48.25 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.377 -0.827 . . . . 0.0 110.17 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' A' ' 21' ' ' MET . 66.4 m95 -124.69 163.49 21.93 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.348 -0.845 . . . . 0.0 109.88 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.27 129.37 40.91 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.277 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 16.0 pt-20 -62.39 -24.99 67.69 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.61 -0.681 . . . . 0.0 110.248 -179.164 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.5 m -78.72 -44.73 22.82 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.175 -0.953 . . . . 0.0 108.85 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 80' ' ' LEU . 76.9 mt -63.36 -39.92 95.85 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.838 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -70.04 -33.3 71.8 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.499 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 11.4 t70 -55.31 -52.36 63.73 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 60.2 mmtt -64.04 -32.3 73.8 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.368 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.723 ' CE2' HD11 ' A' ' 88' ' ' LEU . 27.3 t80 -64.72 -33.66 76.49 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.614 -0.678 . . . . 0.0 109.457 178.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -72.73 -37.08 67.86 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.205 -0.935 . . . . 0.0 109.194 178.771 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.6 m -66.87 -40.79 87.95 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.772 ' HG3' HD11 ' A' ' 17' ' ' LEU . 77.6 mm-40 -70.69 -30.0 66.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.298 -0.876 . . . . 0.0 109.456 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.723 HD11 ' CE2' ' A' ' 84' ' ' PHE . 70.7 mt -71.66 -42.1 67.92 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.526 -0.733 . . . . 0.0 109.926 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 16.6 t80 -77.11 -31.61 55.94 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.393 -0.817 . . . . 0.0 109.919 -178.852 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -69.35 -45.43 69.4 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.191 -0.943 . . . . 0.0 108.531 178.26 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.01 -28.91 68.63 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.008 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.632 ' HG ' HG21 ' A' ' 60' ' ' ILE . 10.8 mt -70.17 -34.05 72.52 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.555 -0.716 . . . . 0.0 109.385 178.061 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -71.06 -41.92 70.11 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.575 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.22 -43.29 74.37 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.363 -0.836 . . . . 0.0 109.287 179.228 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.867 HD23 HG23 ' A' ' 53' ' ' ILE . 71.2 mt -61.53 -37.2 82.88 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.864 -0.522 . . . . 0.0 109.89 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.521 ' O ' HG12 ' A' ' 100' ' ' ILE . 5.6 tp10 -75.3 -36.77 61.09 Favored 'General case' 0 C--O 1.212 -0.881 0 O-C-N 121.389 -0.819 . . . . 0.0 109.665 179.804 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.9 73.38 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.655 -0.653 . . . . 0.0 109.588 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.7 ' SG ' HD13 ' A' ' 53' ' ' ILE . 74.5 m -59.38 -43.29 92.93 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.573 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.55 HG22 HG11 ' A' ' 105' ' ' VAL . 65.3 t -65.47 -33.77 65.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 96' ' ' GLU . 43.5 mm -64.92 -54.1 33.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 121.284 -0.885 . . . . 0.0 109.77 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.476 ' HB2' HG23 ' A' ' 103' ' ' VAL . 84.4 mm-40 -71.6 -179.75 2.71 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.58 -0.7 . . . . 0.0 110.067 -178.11 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.48 45.47 3.26 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.593 HG21 ' CB ' ' A' ' 1' ' ' CYS . 20.9 t -79.42 168.91 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.513 -0.992 . . . . 0.0 108.333 178.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.502 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -64.31 84.28 0.06 OUTLIER Glycine 0 CA--C 1.533 1.163 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -178.771 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.55 HG11 HG22 ' A' ' 99' ' ' VAL . 20.2 t -128.64 24.98 2.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 O-C-N 121.599 -0.942 . . . . 0.0 108.983 179.323 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -169.12 172.95 7.09 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.388 -0.82 . . . . 0.0 109.318 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 108' ' ' THR . 3.0 mt-10 -169.26 -65.09 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.69 -0.631 . . . . 0.0 109.614 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER 179.91 -54.78 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.71 0 O-C-N 121.751 -0.593 . . . . 0.0 110.361 -179.254 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 108' ' ' THR . 41.8 Cg_endo -68.53 170.14 15.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 123.352 1.185 . . . . 0.0 112.041 -178.25 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 113' ' ' GLU . 0.2 OUTLIER -84.11 -4.97 59.15 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.916 -0.49 . . . . 0.0 110.329 179.726 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.481 ' HA ' ' HB3' ' A' ' 114' ' ' ASP . 65.9 mmm -42.58 -31.36 0.44 Allowed 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.501 -0.75 . . . . 0.0 110.5 -179.037 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.474 ' HD3' ' C ' ' A' ' 112' ' ' LYS . 2.0 tmtp? -51.21 -51.42 54.01 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.697 -0.627 . . . . 0.0 109.564 178.767 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.519 ' HB3' HD12 ' A' ' 110' ' ' LEU . 17.8 tp10 -83.68 -27.06 29.3 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 121.462 -0.774 . . . . 0.0 110.042 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.481 ' HB3' ' HA ' ' A' ' 111' ' ' MET . 36.5 t70 -59.4 -40.04 85.36 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.319 -0.863 . . . . 0.0 110.25 -179.577 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.604 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 21.2 t -64.54 -42.57 95.64 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 108.962 179.145 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.787 HG12 ' HA ' ' A' ' 55' ' ' VAL . 72.5 mt -68.67 -28.52 40.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.224 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 120' ' ' ARG . 13.2 mt -69.62 -31.98 70.41 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.563 -0.71 . . . . 0.0 109.376 179.411 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.608 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -71.75 -44.33 64.25 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.063 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.58 -35.22 74.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.608 -0.683 . . . . 0.0 109.998 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 12.7 ptm180 -67.52 -33.91 76.03 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.86 -1.15 . . . . 0.0 109.281 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 120' ' ' ARG . 57.4 tttm -67.35 -36.84 82.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.458 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.4 t80 -62.28 -51.41 67.81 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.553 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.21 -26.04 67.19 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.95 -0.469 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.32 -40.05 93.22 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.186 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.49 -31.45 68.56 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 122' ' ' TYR . 41.9 mt -68.53 -38.25 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.581 -0.7 . . . . 0.0 109.465 179.096 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.8 m -68.85 -36.38 78.08 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.446 -0.784 . . . . 0.0 109.185 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 128' ' ' LEU . 12.2 tp -71.17 -38.62 72.16 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.505 -0.747 . . . . 0.0 109.43 179.092 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.1 -39.07 93.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.681 -0.637 . . . . 0.0 109.354 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 66' ' ' LEU . 70.5 mt -69.03 -39.57 79.16 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -72.68 -20.97 61.14 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.696 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.96 -50.51 19.66 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.265 -0.897 . . . . 0.0 108.767 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.603 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 5.7 mptp? -81.32 2.73 26.95 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.803 -0.561 . . . . 0.0 109.569 178.155 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 58.49 40.52 23.85 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.326 -0.859 . . . . 0.0 109.722 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 85.5 m-85 62.83 51.94 2.85 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.602 -0.687 . . . . 0.0 110.009 178.535 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.4 m -79.28 162.71 62.91 Favored Pre-proline 0 C--O 1.217 -0.614 0 O-C-N 121.456 -0.777 . . . . 0.0 109.206 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.07 -40.72 4.53 Favored 'Trans proline' 0 C--N 1.349 0.564 0 O-C-N 123.67 1.353 . . . . 0.0 111.318 -179.549 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.8 -43.22 80.19 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.445 -0.784 . . . . 0.0 109.258 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.603 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -63.15 -37.82 88.74 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.502 -0.749 . . . . 0.0 109.473 179.13 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.561 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 8.2 m95 -66.78 -40.5 88.22 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.481 -0.762 . . . . 0.0 109.961 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.594 ' HG3' HG13 ' A' ' 24' ' ' ILE . 6.6 tm-20 -65.42 -40.62 93.57 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.377 -0.827 . . . . 0.0 109.339 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 32' ' ' ASP . 45.1 t -59.4 -41.27 83.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.475 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 146' ' ' GLU . 68.0 t -72.11 -23.65 21.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 O-C-N 121.974 -0.453 . . . . 0.0 109.938 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.673 ' HD2' ' HE2' ' A' ' 21' ' ' MET . 2.4 tpp180 -70.16 -44.71 68.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 120.528 -1.357 . . . . 0.0 108.222 178.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -76.0 -18.2 59.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.699 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 0.3 OUTLIER -77.64 -34.48 53.16 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.828 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 143' ' ' VAL . 18.6 mm -77.96 -31.07 16.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.9 ttm -66.42 -47.0 74.64 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.474 -0.766 . . . . 0.0 109.354 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -49.05 65.02 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.894 -0.504 . . . . 0.0 110.033 -178.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.523 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 67.3 m -62.4 -39.42 93.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.561 -0.712 . . . . 0.0 110.136 -179.196 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.918 ' HB3' HD21 ' A' ' 15' ' ' LEU . 43.0 t80 -70.12 -36.18 74.64 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.544 -0.723 . . . . 0.0 109.419 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 66.6 m -69.46 -33.98 73.71 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.431 -0.793 . . . . 0.0 108.96 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.488 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 76.2 mt -66.32 -41.55 89.52 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.647 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 49.2 m -71.24 -35.3 71.39 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.645 -0.659 . . . . 0.0 109.964 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.82 HG21 ' HB3' ' A' ' 11' ' ' SER . 35.8 p -93.09 1.67 57.1 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.475 -0.766 . . . . 0.0 110.172 -178.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 152' ' ' SER . 57.5 t30 -75.93 -1.3 24.87 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.069 -1.019 . . . . 0.0 110.589 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 157' ' ' LEU . 4.5 mm? -59.73 -19.54 50.66 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 120.789 -1.194 . . . . 0.0 109.89 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -57.77 -26.02 61.3 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.415 -0.803 . . . . 0.0 109.959 178.539 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -139.32 112.5 8.12 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 29.7 t -118.92 84.18 2.15 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.28 157.94 35.98 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.558 -0.714 . . . . 0.0 109.586 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -107.03 -65.41 1.1 Allowed 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.42 -0.8 . . . . 0.0 109.388 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.5 t -146.52 78.09 1.5 Allowed 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -120.15 -120.61 0.3 Allowed 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.468 -179.906 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HA ' ' HB1' ' A' ' 97' ' ' ALA . 4.3 t . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.64 0.733 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -115.56 78.7 1.2 Allowed 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.625 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 2.9 mt -64.74 -50.19 65.44 Favored Pre-proline 0 C--O 1.216 -0.706 0 O-C-N 121.623 -0.673 . . . . 0.0 109.336 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 37.5 Cg_endo -66.39 132.02 28.14 Favored 'Trans proline' 0 C--N 1.354 0.849 0 O-C-N 123.764 1.402 . . . . 0.0 110.527 178.811 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -107.2 89.01 2.87 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.6 p -122.82 -62.72 1.33 Allowed 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.538 -0.727 . . . . 0.0 110.271 -177.48 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -92.8 164.81 13.21 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.171 -0.955 . . . . 0.0 109.645 -179.552 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -160.6 109.41 1.66 Allowed 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.689 -0.632 . . . . 0.0 109.498 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 9' ' ' LEU . 2.0 pt? -138.77 20.69 2.68 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.415 -0.803 . . . . 0.0 109.905 178.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.72 -44.76 1.49 Allowed Glycine 0 C--O 1.212 -1.236 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.737 ' HB3' HG21 ' A' ' 155' ' ' THR . 38.7 m -92.13 -36.71 13.17 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.517 -0.99 . . . . 0.0 109.817 -179.691 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -68.17 -43.79 77.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.42 -0.8 . . . . 0.0 109.974 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 21.9 mmt85 -70.7 -33.92 71.41 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.272 -0.893 . . . . 0.0 110.005 -179.632 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 84' ' ' PHE . 15.6 m -62.52 -42.85 99.79 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.397 -0.814 . . . . 0.0 109.475 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 151' ' ' PHE . 90.0 mt -68.45 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.435 -0.79 . . . . 0.0 109.596 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.73 -39.16 93.22 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.347 -0.846 . . . . 0.0 109.1 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 84' ' ' PHE . 86.1 mt -62.78 -41.89 99.45 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.286 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.696 HD12 HD23 ' A' ' 15' ' ' LEU . 50.9 mt -58.47 -35.77 72.68 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.75 -0.594 . . . . 0.0 109.68 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.64 80.82 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.536 -0.728 . . . . 0.0 109.736 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -67.67 -33.97 76.0 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.353 -0.842 . . . . 0.0 109.697 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.475 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 9.3 mtp -67.39 -19.55 65.42 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 121.428 -0.795 . . . . 0.0 110.528 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 6.6 tmm_? -46.41 118.42 1.96 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.151 -0.968 . . . . 0.0 110.463 -179.459 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -38.8 9.54 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.268 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.809 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.6 pt -133.08 170.2 20.48 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 CA-C-O 121.369 0.604 . . . . 0.0 109.679 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -87.67 147.07 25.42 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 -179.083 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.18 -33.55 76.06 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -65.57 -38.46 89.62 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.526 -0.734 . . . . 0.0 109.249 178.573 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.8 m -67.83 -24.81 65.32 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.309 -0.869 . . . . 0.0 109.134 178.278 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.809 ' SG ' HD12 ' A' ' 24' ' ' ILE . 55.4 m -108.67 47.93 0.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 O-C-N 121.547 -0.721 . . . . 0.0 109.901 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.694 HD23 ' HD3' ' A' ' 33' ' ' ARG . 83.2 mt -85.36 0.01 53.43 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.265 -0.897 . . . . 0.0 110.241 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.68 -30.34 29.32 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.367 -0.833 . . . . 0.0 109.172 178.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.652 ' O ' HG21 ' A' ' 142' ' ' VAL . 46.0 m-20 -112.73 26.91 10.08 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.651 -0.656 . . . . 0.0 109.436 178.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.694 ' HD3' HD23 ' A' ' 30' ' ' LEU . 52.0 ttp180 -86.33 117.64 25.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.123 -0.986 . . . . 0.0 109.584 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -145.19 127.99 16.31 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.73 138.53 56.32 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.674 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.6 m-85 -87.99 -43.3 11.85 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.666 -0.646 . . . . 0.0 109.846 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 64.63 0.49 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 83.6 t80 -73.45 133.67 80.25 Favored Pre-proline 0 C--O 1.217 -0.642 0 O-C-N 121.582 -0.952 . . . . 0.0 109.053 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 54.8 Cg_endo -82.51 69.61 7.28 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 O-C-N 123.766 1.403 . . . . 0.0 111.045 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.784 ' HG3' HD22 ' A' ' 153' ' ' LEU . 3.6 tm0? -74.3 -22.94 59.05 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.205 -0.935 . . . . 0.0 109.48 178.674 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -54.65 -26.29 32.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.363 -0.836 . . . . 0.0 109.372 178.143 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 47' ' ' PHE . 31.8 tt0 -98.17 34.23 2.0 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.21 178.733 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 20.2 m-85 -142.14 37.17 1.56 Allowed 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.228 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.16 -94.56 0.47 Allowed Glycine 0 CA--C 1.528 0.9 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -71.72 143.59 49.58 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.741 -0.858 . . . . 0.0 109.339 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 46' ' ' GLN . 3.7 tp-100 67.54 19.44 9.92 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.754 -0.591 . . . . 0.0 109.426 -178.402 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.532 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 71.2 m-85 -142.11 56.44 1.47 Allowed 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.162 -0.961 . . . . 0.0 108.924 179.098 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -176.36 0.27 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.347 -0.846 . . . . 0.0 109.851 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -71.12 -3.28 19.11 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.253 -0.904 . . . . 0.0 110.258 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' HD11 ' A' ' 53' ' ' ILE . . . -123.79 15.86 9.41 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.298 -0.876 . . . . 0.0 109.777 178.696 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -121.96 -43.78 2.33 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.093 -1.005 . . . . 0.0 109.908 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 14.6 t -91.48 13.99 16.1 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.679 -0.638 . . . . 0.0 110.22 -179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 49.4 mt -57.93 -42.86 97.47 Favored Pre-proline 0 C--O 1.213 -0.851 0 O-C-N 121.054 -1.029 . . . . 0.0 110.589 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.79 -26.42 52.61 Favored 'Trans proline' 0 C--N 1.356 0.967 0 O-C-N 123.214 1.113 . . . . 0.0 110.573 178.852 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.769 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.49 -44.6 47.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 60' ' ' ILE . 32.2 mt -62.82 -38.94 92.72 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.504 ' CD2' ' HG3' ' A' ' 96' ' ' GLU . 57.0 t-80 -59.4 -50.66 73.1 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.762 -0.586 . . . . 0.0 109.94 -179.112 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.642 ' HG2' HG21 ' A' ' 116' ' ' ILE . 1.1 mp0 -66.22 -28.73 68.96 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.308 -0.87 . . . . 0.0 109.626 179.68 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.7 ttm -67.34 -39.13 85.76 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 121.338 -0.851 . . . . 0.0 108.706 177.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.739 HG21 ' HG ' ' A' ' 92' ' ' LEU . 25.1 mm -68.23 -29.65 45.13 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.326 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -73.68 -38.26 64.97 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.65 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -70.28 -36.83 74.63 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.61 HG23 ' CE1' ' A' ' 67' ' ' PHE . 84.2 mt -76.16 -29.49 19.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.698 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.527 ' HA ' HD13 ' A' ' 88' ' ' LEU . 39.3 t80 -64.82 -45.95 84.04 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.293 -0.879 . . . . 0.0 109.381 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' THR . 74.4 m-80 -78.92 -34.29 44.71 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.575 -0.703 . . . . 0.0 109.851 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 130' ' ' LEU . 43.7 tp -62.5 -30.61 71.4 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.61 ' CE1' HG23 ' A' ' 63' ' ' ILE . 15.8 m-85 -98.92 -17.59 18.28 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.603 -0.685 . . . . 0.0 109.859 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 15.0 t -85.64 -18.94 31.81 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.204 -0.935 . . . . 0.0 109.912 178.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' ASN . 3.3 p -53.32 149.34 7.51 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.382 -0.824 . . . . 0.0 109.915 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.43 -26.3 68.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.575 -0.703 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.478 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.2 p30 -74.66 -27.35 60.39 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.544 -0.723 . . . . 0.0 110.018 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.541 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 85.7 p -92.09 -29.72 16.39 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.264 -0.897 . . . . 0.0 109.728 179.472 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.4 t -66.53 -30.22 70.49 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.476 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.74 -25.88 26.17 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.601 -0.687 . . . . 0.0 109.213 178.183 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -32.78 70.67 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.507 -0.746 . . . . 0.0 110.035 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -118.67 167.47 11.62 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.688 -0.633 . . . . 0.0 109.398 -178.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.49 134.66 53.89 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.232 -0.918 . . . . 0.0 108.906 178.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -23.47 65.82 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -179.013 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -79.88 -45.99 17.63 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.093 -1.004 . . . . 0.0 108.594 178.533 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 80.7 mt -62.39 -38.51 89.88 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.03 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 81' ' ' LEU . 11.7 mt -70.2 -34.58 73.11 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.28 -53.13 57.95 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.723 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 53.2 mmtt -65.24 -31.09 72.07 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.323 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.796 ' HA ' HD13 ' A' ' 17' ' ' LEU . 32.1 t80 -65.23 -31.62 72.87 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.599 -0.688 . . . . 0.0 109.239 178.525 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.5 -36.8 65.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.19 -0.944 . . . . 0.0 109.008 178.179 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -68.52 -38.38 80.86 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.651 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -34.31 72.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.456 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.764 HD11 ' CE2' ' A' ' 84' ' ' PHE . 46.4 mt -71.1 -41.47 70.54 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.67 -0.644 . . . . 0.0 109.513 179.222 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.94 -30.73 64.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.589 -0.694 . . . . 0.0 110.494 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.64 -52.35 15.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.137 -0.977 . . . . 0.0 109.616 -179.518 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.839 HE22 ' HZ ' ' A' ' 151' ' ' PHE . 9.6 pt20 -66.27 -21.98 66.3 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.802 179.011 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.739 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.2 mt -67.12 -46.8 73.04 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 176.803 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.08 -43.47 91.8 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.22 -40.13 95.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.41 -0.806 . . . . 0.0 109.672 178.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 53' ' ' ILE . 73.0 mt -66.72 -28.42 68.41 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.571 -0.706 . . . . 0.0 109.753 179.256 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.571 ' O ' HG12 ' A' ' 100' ' ' ILE . 42.9 mt-10 -75.82 -34.27 60.11 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 121.472 -0.768 . . . . 0.0 109.83 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 1' ' ' CYS . . . -45.11 -49.07 12.02 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.854 -0.529 . . . . 0.0 110.929 -178.458 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.575 ' SG ' ' CD1' ' A' ' 53' ' ' ILE . 5.4 m -63.65 -42.34 98.11 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.358 -0.839 . . . . 0.0 109.177 179.018 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.2 t -65.44 -30.6 50.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 O-C-N 121.626 -0.671 . . . . 0.0 110.04 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 96' ' ' GLU . 18.8 mm -65.08 -57.84 9.47 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 121.171 -0.956 . . . . 0.0 108.924 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.434 ' HB2' HG22 ' A' ' 103' ' ' VAL . 22.0 mm100 -80.64 -174.11 4.52 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.588 -0.695 . . . . 0.0 109.335 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.51 -32.26 55.1 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 179.119 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 103' ' ' VAL . 15.9 m -58.5 106.02 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 O-C-N 121.599 -0.942 . . . . 0.0 110.032 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.99 -55.26 0.54 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.88 145.92 10.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 121.668 -0.901 . . . . 0.0 109.558 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.5 p -142.06 -163.44 1.59 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.526 -0.734 . . . . 0.0 109.286 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 108' ' ' THR . 39.9 tt0 -56.08 -21.72 23.67 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 107' ' ' GLU . 28.7 m -20.75 117.38 0.12 Allowed Pre-proline 0 N--CA 1.476 0.837 0 CA-C-O 121.034 0.445 . . . . 0.0 112.12 -178.64 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 111' ' ' MET . 38.2 Cg_endo -65.49 178.95 1.84 Allowed 'Trans proline' 0 C--O 1.214 -0.72 0 C-N-CA 122.159 1.906 . . . . 0.0 110.026 177.794 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 110' ' ' LEU . 10.1 tt -35.28 -26.83 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 O-C-N 122.094 -0.379 . . . . 0.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 109' ' ' PRO . 2.1 tpp -43.17 -33.86 1.0 Allowed 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.537 -0.727 . . . . 0.0 109.901 176.496 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 61.9 pttt -55.85 -39.47 71.52 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.467 -0.771 . . . . 0.0 109.789 179.125 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 31.5 tt0 -87.21 -28.69 22.23 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 121.34 -0.85 . . . . 0.0 109.287 178.499 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -55.03 -36.64 65.72 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.526 -0.734 . . . . 0.0 109.681 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.415 ' OG ' HG22 ' A' ' 55' ' ' VAL . 4.7 p -64.36 -46.51 83.09 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.501 -0.749 . . . . 0.0 109.342 178.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.769 HG12 ' HA ' ' A' ' 55' ' ' VAL . 74.5 mt -69.27 -34.5 63.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 O-C-N 121.565 -0.71 . . . . 0.0 109.252 178.482 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.94 71.31 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.449 ' HB1' ' CG ' ' A' ' 39' ' ' PRO . . . -69.18 -48.54 61.9 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.297 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.04 -26.79 39.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.707 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -69.37 -45.0 70.37 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.369 -0.832 . . . . 0.0 109.533 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -70.17 -31.8 69.44 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.531 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.748 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.5 t80 -63.48 -50.75 68.46 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.555 -0.716 . . . . 0.0 109.353 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -68.68 -28.54 66.95 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.652 -0.655 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.86 -40.85 98.75 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.265 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -68.13 -37.14 80.75 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.496 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.748 HD11 ' CE2' ' A' ' 122' ' ' TYR . 53.4 mt -62.04 -38.01 79.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.517 -0.739 . . . . 0.0 109.271 178.793 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 37.4 m -67.8 -36.97 81.37 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.481 -0.762 . . . . 0.0 109.658 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.3 -44.1 72.48 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.461 -0.774 . . . . 0.0 109.861 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -58.93 -38.43 78.96 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.556 -0.715 . . . . 0.0 109.308 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.47 HD22 ' CE2' ' A' ' 140' ' ' TRP . 45.3 mt -64.66 -45.0 88.59 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.19 -20.34 63.12 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.413 -0.805 . . . . 0.0 109.719 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.53 -50.84 33.44 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.35 -0.844 . . . . 0.0 108.83 178.665 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -81.84 4.01 23.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.801 -0.562 . . . . 0.0 109.72 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 60.66 40.54 16.34 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.519 -0.738 . . . . 0.0 109.407 -179.486 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 58.3 m-85 61.51 55.95 2.68 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.665 0.745 . . . . 0.0 109.586 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.449 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 32.1 t -79.96 151.31 73.21 Favored Pre-proline 0 C--O 1.216 -0.705 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.449 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.09 -35.98 50.49 Favored 'Trans proline' 0 C--N 1.352 0.739 0 O-C-N 123.633 1.333 . . . . 0.0 110.913 179.499 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.79 -39.22 70.05 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.417 -0.802 . . . . 0.0 108.894 177.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -64.31 -40.36 95.75 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.656 -0.652 . . . . 0.0 109.241 178.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.541 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.9 m95 -66.46 -32.21 73.43 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.501 -0.75 . . . . 0.0 109.693 178.909 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.523 ' HG2' HG13 ' A' ' 24' ' ' ILE . 2.5 tp10 -69.79 -35.2 74.68 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.365 -0.834 . . . . 0.0 108.797 178.568 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.652 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.7 t -67.97 -36.43 75.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.79 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.47 HG21 HD21 ' A' ' 130' ' ' LEU . 65.5 t -76.46 -25.59 16.4 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 121.708 -0.62 . . . . 0.0 109.844 178.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 145' ' ' ALA . 4.7 ptt85 -67.41 -49.62 63.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.137 -0.977 . . . . 0.0 108.369 178.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' A' ' 144' ' ' ARG . . . -65.41 -34.27 77.91 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.411 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.41 -31.18 66.95 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.574 -0.704 . . . . 0.0 109.75 179.275 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 143' ' ' VAL . 15.0 mm -77.95 -35.23 20.33 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 121.171 -0.956 . . . . 0.0 109.092 178.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.491 ' HG3' HD22 ' A' ' 15' ' ' LEU . 29.6 ttm -67.81 -42.17 81.97 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.441 -0.787 . . . . 0.0 109.013 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -69.39 -52.92 22.42 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.904 -0.498 . . . . 0.0 109.698 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.507 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 66.0 m -60.18 -35.82 76.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 122.005 -0.434 . . . . 0.0 110.019 -179.387 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.839 ' HZ ' HE22 ' A' ' 91' ' ' GLN . 42.7 t80 -72.2 -38.51 69.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.476 -0.765 . . . . 0.0 109.148 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.529 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 72.3 m -67.12 -30.27 70.24 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.04 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.784 HD22 ' HG3' ' A' ' 40' ' ' GLN . 74.6 mt -71.84 -41.34 68.25 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.821 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.579 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 27.1 m -68.14 -35.0 77.38 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.631 -0.668 . . . . 0.0 109.622 179.348 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.737 HG21 ' HB3' ' A' ' 11' ' ' SER . 45.5 p -95.12 1.34 54.87 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.489 -0.757 . . . . 0.0 109.542 179.319 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.0 t-20 -67.02 -10.95 55.25 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 121.35 -0.844 . . . . 0.0 110.764 -179.408 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 157' ' ' LEU . 4.1 mm? -51.4 -26.14 7.4 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.018 -1.051 . . . . 0.0 110.658 -179.22 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -67.89 -35.77 79.08 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.266 -0.896 . . . . 0.0 109.99 179.113 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -112.69 1.15 15.58 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.376 -0.828 . . . . 0.0 111.182 -178.59 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 55.0 m -52.14 -49.19 64.2 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.285 -0.884 . . . . 0.0 110.155 -178.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 161' ' ' LEU . 3.4 mm? -88.42 127.72 35.51 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.443 -0.786 . . . . 0.0 108.888 179.433 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -64.57 -36.42 84.16 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.488 -0.757 . . . . 0.0 109.517 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 87.7 p -65.14 161.44 19.08 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.53 -0.731 . . . . 0.0 109.593 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.15 51.84 2.13 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 121.478 -0.764 . . . . 0.0 109.435 179.569 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 CA--C 1.537 0.466 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.772 -179.925 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.59 ' HA ' ' HB1' ' A' ' 97' ' ' ALA . 4.6 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.432 0.634 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -97.52 73.76 2.41 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 2.1 mt -68.33 -53.12 19.05 Favored Pre-proline 0 C--O 1.216 -0.663 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 43.2 Cg_endo -73.35 145.49 38.46 Favored 'Trans proline' 0 C--N 1.352 0.751 0 O-C-N 123.813 1.428 . . . . 0.0 110.105 178.101 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -105.44 88.0 2.74 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.727 0.775 . . . . 0.0 109.565 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -90.34 -45.02 9.29 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.437 -0.79 . . . . 0.0 109.884 -179.682 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -86.76 -176.65 5.87 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.269 -0.894 . . . . 0.0 110.002 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.9 p -94.52 -167.67 1.7 Allowed 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.54 110.16 4.08 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.179 -0.95 . . . . 0.0 108.973 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.19 -37.3 93.76 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -66.24 -32.96 74.7 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.447 -1.031 . . . . 0.0 109.935 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -39.42 78.53 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.719 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -76.39 -39.93 52.35 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.231 -0.918 . . . . 0.0 109.733 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.429 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 92.8 m -63.4 -45.6 90.3 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.431 -0.793 . . . . 0.0 109.322 179.339 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 18' ' ' LEU . 38.4 mt -67.55 -30.04 69.57 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.623 -0.673 . . . . 0.0 109.309 178.881 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -64.86 -37.87 89.07 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.3 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' ' 84' ' ' PHE . 96.0 mt -62.83 -41.08 99.19 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.696 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.641 HD12 HD23 ' A' ' 15' ' ' LEU . 82.1 mt -62.1 -35.09 77.65 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.621 -0.674 . . . . 0.0 109.503 179.472 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.5 66.56 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.465 -0.772 . . . . 0.0 109.607 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -67.6 -24.95 65.55 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.451 -0.781 . . . . 0.0 109.669 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.675 ' HG2' ' CE3' ' A' ' 76' ' ' TRP . 41.3 ttm -59.56 -34.6 72.89 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -53.38 110.54 0.57 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.591 -0.693 . . . . 0.0 110.154 -179.451 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -94.15 -39.32 10.63 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.462 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.966 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.1 pt -109.44 170.3 3.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.155 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.1 m -93.8 145.57 24.5 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.482 -0.761 . . . . 0.0 109.265 179.544 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -62.95 -31.71 72.87 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.61 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -66.1 -37.6 86.16 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.528 -0.733 . . . . 0.0 109.027 178.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -65.23 -28.13 69.15 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.279 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.966 ' SG ' HD12 ' A' ' 24' ' ' ILE . 64.8 m -112.2 53.53 0.73 Allowed 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.673 -0.642 . . . . 0.0 110.126 -178.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 52.7 mt -85.64 7.59 22.73 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.122 -0.986 . . . . 0.0 110.127 178.659 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.76 -36.96 56.73 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.406 -0.809 . . . . 0.0 108.972 179.055 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.769 ' O ' HG21 ' A' ' 142' ' ' VAL . 0.4 OUTLIER -114.12 26.97 9.85 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.058 178.884 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 52.9 ttp180 -72.82 122.11 21.03 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.003 -1.061 . . . . 0.0 109.415 179.387 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' HG11 ' A' ' 142' ' ' VAL . 37.2 p-80 -163.16 164.84 25.07 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.455 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -106.06 120.56 42.12 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.474 -0.766 . . . . 0.0 109.205 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.538 ' HE1' ' HB2' ' A' ' 129' ' ' TYR . 54.1 m-85 -65.23 -46.19 81.62 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.345 179.124 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.69 68.22 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.7 t80 -71.6 131.94 85.83 Favored Pre-proline 0 C--O 1.217 -0.653 0 O-C-N 121.519 -0.989 . . . . 0.0 108.934 179.369 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.57 ' CG ' ' HB1' ' A' ' 118' ' ' ALA . 52.3 Cg_endo -81.53 70.65 7.23 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 O-C-N 123.722 1.38 . . . . 0.0 110.952 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.54 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -73.69 -19.99 60.66 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.272 -0.893 . . . . 0.0 109.347 178.478 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -29.08 67.1 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 108.874 177.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -96.43 29.98 2.71 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.053 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' O ' HD21 ' A' ' 157' ' ' LEU . 4.6 m-85 -139.12 16.69 2.62 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.323 -0.861 . . . . 0.0 110.145 -179.382 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.29 -88.37 1.42 Allowed Glycine 0 C--O 1.218 -0.893 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -178.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -71.95 151.47 43.25 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.891 -0.77 . . . . 0.0 109.261 -179.718 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 69.42 19.33 7.65 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.633 -0.667 . . . . 0.0 109.343 -178.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.665 ' CD1' HG23 ' A' ' 52' ' ' THR . 72.5 m-85 -143.92 82.38 1.72 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.154 -0.966 . . . . 0.0 109.109 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -77.51 -164.32 0.47 Allowed 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.521 -0.737 . . . . 0.0 109.253 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -75.84 -2.58 30.73 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.132 -0.98 . . . . 0.0 110.677 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . . . -128.73 4.55 5.49 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.142 -0.974 . . . . 0.0 110.744 179.375 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 68.6 mm-40 -105.36 -31.56 8.99 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 120.858 -1.151 . . . . 0.0 109.944 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.665 HG23 ' CD1' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -87.34 -6.38 58.52 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 121.57 -0.706 . . . . 0.0 109.575 178.635 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.728 HG23 HD23 ' A' ' 95' ' ' LEU . 37.3 mt -52.69 -45.69 96.5 Favored Pre-proline 0 C--O 1.212 -0.896 0 O-C-N 121.295 -0.878 . . . . 0.0 111.578 -178.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -63.9 -31.23 67.52 Favored 'Trans proline' 0 C--N 1.356 0.963 0 O-C-N 123.138 1.073 . . . . 0.0 110.44 179.107 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.741 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.8 t -78.09 -33.46 18.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.618 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.625 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.2 mt -72.93 -28.26 62.35 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.463 -0.773 . . . . 0.0 109.554 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -76.31 -43.52 40.98 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.27 -179.132 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.1 tp10 -72.78 -33.67 66.44 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 109.403 179.317 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.8 ttt -71.43 -42.55 68.12 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.379 -0.826 . . . . 0.0 109.261 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.631 HG23 HD22 ' A' ' 88' ' ' LEU . 28.5 mt -71.01 -23.57 23.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.221 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -72.68 -33.77 66.75 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.51 -36.23 68.32 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.803 -0.561 . . . . 0.0 109.542 178.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.44 HG23 ' CE1' ' A' ' 67' ' ' PHE . 79.0 mt -75.52 -31.42 23.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 121.301 -0.874 . . . . 0.0 108.681 178.067 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.523 ' HA ' HD13 ' A' ' 88' ' ' LEU . 48.1 t80 -63.63 -43.83 95.65 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 121.647 -0.658 . . . . 0.0 109.402 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.726 ' O ' HG23 ' A' ' 69' ' ' THR . 21.0 t-20 -80.34 -39.09 29.27 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.591 -0.693 . . . . 0.0 109.589 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 tp -57.98 -31.86 67.31 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.485 -0.759 . . . . 0.0 109.246 178.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.44 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.8 m-85 -94.52 -28.5 15.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -74.98 -15.74 60.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.308 -0.87 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 65' ' ' ASN . 22.2 p -57.34 153.39 12.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.188 -0.945 . . . . 0.0 109.922 -179.787 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 3.2 tppp? -64.86 -21.07 66.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.618 -0.676 . . . . 0.0 109.69 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.37 -40.83 49.99 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.409 -0.807 . . . . 0.0 109.62 179.222 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.465 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 25.5 t -80.02 -32.62 39.58 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.512 -0.742 . . . . 0.0 110.188 -179.649 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 83.3 p -65.1 -37.06 86.26 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.405 -0.809 . . . . 0.0 109.434 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.39 -19.83 35.32 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.46 58.78 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.466 -0.771 . . . . 0.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.675 ' CE3' ' HG2' ' A' ' 21' ' ' MET . 79.7 m95 -119.59 173.75 6.82 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.512 -0.743 . . . . 0.0 109.812 -178.444 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -68.89 130.87 44.02 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -28.1 69.86 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.514 -0.742 . . . . 0.0 110.593 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.8 m -77.76 -44.07 28.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.165 -0.959 . . . . 0.0 108.935 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 80' ' ' LEU . 92.2 mt -63.21 -38.4 91.02 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.735 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.588 HD21 ' HE1' ' A' ' 21' ' ' MET . 11.0 mt -71.21 -33.02 69.53 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 121.643 -0.661 . . . . 0.0 109.252 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.71 -53.14 61.17 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.583 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.14 -31.06 72.06 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.237 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 88' ' ' LEU . 25.8 t80 -66.6 -30.97 71.38 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.662 -0.649 . . . . 0.0 109.608 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.07 -36.3 59.04 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.12 -0.987 . . . . 0.0 109.136 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.2 m -68.22 -39.75 82.28 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.587 -0.696 . . . . 0.0 109.572 -179.462 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -71.42 -33.92 69.85 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.604 179.249 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 84' ' ' PHE . 65.2 mt -67.87 -40.87 83.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 121.41 -0.806 . . . . 0.0 109.316 178.696 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -72.37 -34.47 67.97 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.542 -0.724 . . . . 0.0 110.331 -179.276 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.69 -51.46 62.37 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.235 -0.916 . . . . 0.0 109.182 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -67.17 -27.49 67.33 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.329 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.1 mt -69.15 -34.58 75.21 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.482 -0.761 . . . . 0.0 109.456 178.341 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.25 -39.06 68.72 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.38 -39.25 81.83 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 109.252 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.728 HD23 HG23 ' A' ' 53' ' ' ILE . 54.3 mt -65.59 -48.75 71.25 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.734 -0.604 . . . . 0.0 110.348 -179.626 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.53 ' O ' HG12 ' A' ' 100' ' ' ILE . 11.0 pt-20 -66.34 -28.09 68.39 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.416 -0.802 . . . . 0.0 110.179 -179.03 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 1' ' ' CYS . . . -58.13 -45.3 87.58 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.503 -0.748 . . . . 0.0 109.893 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.533 ' SG ' ' CD1' ' A' ' 53' ' ' ILE . 2.1 m -60.51 -34.99 74.88 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.277 -0.889 . . . . 0.0 109.125 178.385 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.74 -37.92 64.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 O-C-N 121.732 -0.605 . . . . 0.0 109.854 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 96' ' ' GLU . 26.0 mm -57.46 -56.35 15.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 O-C-N 121.357 -0.839 . . . . 0.0 108.96 179.637 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -87.08 -172.53 4.01 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.44 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -113.63 61.6 0.33 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 179.03 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.7 t -92.36 44.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.727 -0.866 . . . . 0.0 109.678 -178.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.01 91.09 2.01 Favored Glycine 0 C--O 1.215 -1.076 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.5 t -145.75 147.65 18.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 O-C-N 121.626 -0.926 . . . . 0.0 108.974 -179.622 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.652 HG21 ' SD ' ' A' ' 111' ' ' MET . 65.0 p -64.37 135.95 56.65 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.593 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.731 ' O ' HG23 ' A' ' 108' ' ' THR . 0.8 OUTLIER -65.47 -63.93 0.98 Allowed 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.589 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -171.35 54.64 0.21 Allowed Pre-proline 0 N--CA 1.474 0.764 0 O-C-N 121.731 -0.606 . . . . 0.0 110.48 179.31 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 108' ' ' THR . 55.3 Cg_endo -90.11 169.93 4.18 Favored 'Trans proline' 0 C--N 1.351 0.689 0 O-C-N 123.102 1.054 . . . . 0.0 110.295 178.758 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.2 tp -70.95 -27.1 63.5 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.227 -0.921 . . . . 0.0 109.136 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.652 ' SD ' HG21 ' A' ' 106' ' ' THR . 4.2 ppp? -72.25 -5.78 38.34 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.535 -0.728 . . . . 0.0 110.76 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.561 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 14.9 tmtt? -55.03 -61.13 2.51 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.06 -1.025 . . . . 0.0 109.546 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 9.6 pt-20 -103.9 16.82 25.44 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 121.49 -0.756 . . . . 0.0 110.083 179.213 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.441 ' CB ' ' HA ' ' A' ' 111' ' ' MET . 26.4 t70 -71.83 -43.24 65.92 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.03 -1.044 . . . . 0.0 108.766 178.653 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.718 ' HB3' HG21 ' A' ' 55' ' ' VAL . 20.6 t -66.89 -35.56 80.28 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.741 HG12 ' HA ' ' A' ' 55' ' ' VAL . 58.3 mt -70.13 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.394 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -68.0 -35.61 78.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.57 ' HB1' ' CG ' ' A' ' 39' ' ' PRO . . . -65.68 -44.05 87.4 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.857 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 81.4 t -66.88 -24.38 32.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.521 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.35 -46.54 69.88 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.407 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 121' ' ' LYS . 75.4 mmtt -70.39 -30.94 67.97 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.346 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.67 ' CE2' HD11 ' A' ' 126' ' ' ILE . 61.7 t80 -65.94 -48.81 70.12 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.545 -0.722 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -71.67 -22.31 61.68 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.727 -0.608 . . . . 0.0 110.015 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.03 -40.02 82.99 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.303 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -69.52 -38.99 77.79 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.67 HD11 ' CE2' ' A' ' 122' ' ' TYR . 68.6 mt -62.1 -41.95 93.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 O-C-N 121.637 -0.665 . . . . 0.0 109.555 178.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.415 ' HA ' HD12 ' A' ' 130' ' ' LEU . 91.0 m -67.56 -39.83 84.92 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.411 -0.806 . . . . 0.0 109.571 -179.535 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.8 -47.17 84.62 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.47 -0.769 . . . . 0.0 110.17 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.538 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 11.3 t80 -60.77 -35.0 75.31 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.482 -0.761 . . . . 0.0 109.398 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.429 HD21 HG21 ' A' ' 143' ' ' VAL . 36.5 mt -67.39 -39.74 85.61 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.587 -0.696 . . . . 0.0 109.227 178.617 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' HE3' HG22 ' A' ' 127' ' ' THR . 76.3 mttt -71.94 -25.74 62.0 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.283 -0.886 . . . . 0.0 109.611 178.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.37 -51.33 30.66 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.389 -0.819 . . . . 0.0 109.557 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -80.83 2.87 24.56 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.6 -0.687 . . . . 0.0 109.722 178.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 60.71 39.63 17.22 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.076 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 61.32 50.51 4.72 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.582 -0.699 . . . . 0.0 110.312 177.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.481 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.7 m -79.62 162.98 61.02 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.403 -0.81 . . . . 0.0 109.123 178.186 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -67.97 -37.63 14.76 Favored 'Trans proline' 0 C--N 1.351 0.677 0 O-C-N 123.637 1.335 . . . . 0.0 111.455 -179.241 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.46 -42.15 71.86 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.324 -0.86 . . . . 0.0 109.24 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.76 -37.74 85.42 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.465 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 20.2 m95 -68.29 -33.04 73.62 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.546 -0.721 . . . . 0.0 109.726 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -63.46 -40.32 96.8 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.342 -0.848 . . . . 0.0 108.909 178.529 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 32' ' ' ASP . 78.0 t -65.13 -44.44 95.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.139 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.597 HG13 ' CG2' ' A' ' 126' ' ' ILE . 88.1 t -69.23 -22.14 25.66 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 O-C-N 121.934 -0.479 . . . . 0.0 110.074 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.45 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 25.4 ttp85 -72.51 -47.04 51.69 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.972 -1.08 . . . . 0.0 108.823 179.229 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.88 -34.38 77.66 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.459 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 53.8 mm-40 -70.68 -37.06 73.61 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.802 -0.561 . . . . 0.0 110.069 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 11.8 mm -73.17 -34.7 45.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.364 -0.835 . . . . 0.0 109.619 179.283 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.1 ttm -70.69 -38.99 73.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.447 -0.783 . . . . 0.0 109.203 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -70.49 -46.32 63.96 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 121.6 -0.687 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.525 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.3 p -63.69 -39.63 94.81 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.667 -0.645 . . . . 0.0 110.011 -179.455 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' A' ' 15' ' ' LEU . 19.9 t80 -72.14 -36.4 69.34 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.466 -0.771 . . . . 0.0 110.02 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 79.1 p -70.94 -33.58 70.63 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.385 -0.822 . . . . 0.0 108.94 178.643 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.54 HD22 ' HG3' ' A' ' 40' ' ' GLN . 41.4 mt -67.89 -40.03 83.58 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.584 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.625 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 67.7 m -70.26 -36.94 74.78 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.82 -0.55 . . . . 0.0 110.275 -179.007 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.8 p -94.69 1.61 55.52 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.538 -179.307 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -68.38 -8.64 42.07 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.04 -1.037 . . . . 0.0 111.16 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 43' ' ' PHE . 4.0 mm? -56.69 -33.43 66.43 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 120.795 -1.191 . . . . 0.0 110.042 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -78.43 -33.18 48.72 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.353 -0.842 . . . . 0.0 111.174 -178.146 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.512 ' HA ' ' HB3' ' A' ' 163' ' ' SER . 1.4 tp10 -100.94 -2.45 31.83 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 120.807 -1.183 . . . . 0.0 111.517 -177.132 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 24.9 m -81.69 -62.21 1.71 Allowed 'General case' 0 C--O 1.217 -0.644 0 O-C-N 120.96 -1.088 . . . . 0.0 109.946 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.6 mp -110.51 -39.6 4.87 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.371 -0.831 . . . . 0.0 110.525 -178.788 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 82.1 mtm-85 -92.26 43.42 1.13 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.161 -0.962 . . . . 0.0 110.007 -178.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.512 ' HB3' ' HA ' ' A' ' 159' ' ' GLU . 23.5 p -89.7 94.19 9.75 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.261 -0.899 . . . . 0.0 109.557 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -143.99 84.51 1.78 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.459 -0.776 . . . . 0.0 108.952 179.627 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.524 -179.521 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.657 ' HB2' HG21 ' A' ' 155' ' ' THR . 79.3 p . . . . . 0 C--O 1.216 -0.706 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.05 -36.77 84.67 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.505 -0.747 . . . . 0.0 109.191 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 62.7 mtt85 -71.8 -37.06 70.45 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.399 -0.813 . . . . 0.0 109.492 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.428 HG22 ' HE1' ' A' ' 84' ' ' PHE . 13.0 m -59.42 -42.92 92.95 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.432 -0.792 . . . . 0.0 109.251 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.942 HD23 HD12 ' A' ' 18' ' ' LEU . 91.6 mt -74.46 -32.84 62.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.618 -0.676 . . . . 0.0 109.632 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.3 ttp -61.64 -35.08 76.9 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 84' ' ' PHE . 90.0 mt -67.46 -45.66 75.34 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.942 HD12 HD23 ' A' ' 15' ' ' LEU . 55.5 mt -58.72 -30.86 67.78 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.618 ' O ' ' HG2' ' A' ' 22' ' ' ARG . . . -70.02 -50.02 45.56 Favored 'General case' 0 C--O 1.211 -0.956 0 O-C-N 121.52 -0.737 . . . . 0.0 109.722 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -68.51 -21.0 64.61 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 120.986 -1.071 . . . . 0.0 109.898 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.559 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 53.7 mtp -73.39 -26.52 61.03 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.423 -0.798 . . . . 0.0 111.202 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 19.5 ptt-85 -64.27 124.18 21.05 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 120.702 -1.249 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.5 mptm? -90.67 -36.37 14.39 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.001 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pt -115.9 170.49 5.69 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 CA-C-O 121.399 0.619 . . . . 0.0 109.363 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -97.03 154.07 17.54 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.648 -0.657 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD21 ' NE ' ' A' ' 33' ' ' ARG . 52.8 tp -63.22 -29.62 70.92 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -68.82 -38.13 79.66 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -66.51 -27.89 68.13 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.449 -0.782 . . . . 0.0 108.896 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.001 ' SG ' HD12 ' A' ' 24' ' ' ILE . 35.5 m -112.84 53.37 0.75 Allowed 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.424 -0.798 . . . . 0.0 110.214 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.6 mt -83.03 3.18 31.38 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.172 -0.955 . . . . 0.0 109.816 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -81.86 -31.4 31.58 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.418 -0.801 . . . . 0.0 108.938 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.646 ' O ' HG21 ' A' ' 142' ' ' VAL . 66.7 m-20 -102.99 21.86 14.96 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.676 -0.64 . . . . 0.0 109.752 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.426 ' NE ' HD21 ' A' ' 26' ' ' LEU . 14.7 tpp85 -62.46 115.28 4.09 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.103 -0.998 . . . . 0.0 109.284 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -154.59 108.4 2.93 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -75.45 112.92 12.26 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.554 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 51.5 m-85 -63.44 -37.79 88.66 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.578 -0.701 . . . . 0.0 109.437 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.76 74.62 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 79.0 t80 -61.84 132.5 93.42 Favored Pre-proline 0 C--O 1.216 -0.666 0 O-C-N 121.543 -0.974 . . . . 0.0 108.46 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.836 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 49.8 Cg_endo -80.89 76.38 4.55 Favored 'Trans proline' 0 C--N 1.349 0.582 0 O-C-N 123.732 1.385 . . . . 0.0 110.857 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.526 ' OE1' HD22 ' A' ' 153' ' ' LEU . 4.9 tt0 -81.52 -4.7 56.7 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.381 -0.824 . . . . 0.0 109.326 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.03 -32.32 69.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.147 -0.97 . . . . 0.0 108.731 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 115' ' ' SER . 2.2 tp10 -99.22 23.21 9.45 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.567 -0.708 . . . . 0.0 109.311 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 32.4 m-85 . . . . . 0 C--O 1.216 -0.673 0 O-C-N 121.373 -0.83 . . . . 0.0 109.302 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.215 -0.759 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.766 HG23 HD23 ' A' ' 95' ' ' LEU . 56.7 mt -57.17 -43.48 99.27 Favored Pre-proline 0 C--O 1.215 -0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 110.128 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -65.06 -25.69 58.59 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 123.08 1.042 . . . . 0.0 110.163 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.825 ' HA ' HG12 ' A' ' 116' ' ' ILE . 17.0 t -77.23 -41.14 30.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.9 mt -66.29 -30.47 70.9 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -69.39 -49.69 52.94 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.449 -0.782 . . . . 0.0 109.48 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.568 ' HG3' HD13 ' A' ' 116' ' ' ILE . 8.1 mm-40 -68.3 -30.03 68.94 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.739 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.453 ' HE1' ' O ' ' A' ' 150' ' ' SER . 3.0 ttt -67.41 -50.75 58.12 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.628 HG23 ' CD2' ' A' ' 88' ' ' LEU . 13.7 mt -66.63 -21.28 28.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 121.623 -0.673 . . . . 0.0 109.472 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.0 -40.13 63.16 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.48 -35.84 78.09 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.493 -0.755 . . . . 0.0 109.463 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.51 HG23 ' CE1' ' A' ' 67' ' ' PHE . 81.0 mt -73.53 -32.52 36.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.65 ' HA ' HD13 ' A' ' 88' ' ' LEU . 51.7 t80 -62.16 -42.78 99.59 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.734 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.746 ' O ' HG23 ' A' ' 69' ' ' THR . 2.2 t-20 -80.2 -40.22 27.61 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.518 -0.739 . . . . 0.0 109.57 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 130' ' ' LEU . 32.0 tp -56.88 -32.46 65.88 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.479 -0.763 . . . . 0.0 109.428 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.51 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.8 m-85 -96.24 -27.15 15.14 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.629 -0.67 . . . . 0.0 110.073 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.472 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 22.9 t -72.63 -23.03 60.87 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.254 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 65' ' ' ASN . 36.1 p -53.09 146.66 10.93 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.758 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -62.26 -20.62 64.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.524 -0.735 . . . . 0.0 109.928 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.06 -39.97 60.56 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.435 -0.791 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -83.26 -28.1 29.4 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.503 -0.748 . . . . 0.0 109.404 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.516 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 30.9 t -67.62 -33.88 75.87 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.462 -0.774 . . . . 0.0 109.196 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.37 26.97 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.15 62.78 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 63.7 m95 -122.67 166.84 14.24 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.485 -0.759 . . . . 0.0 109.779 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.21 129.21 39.73 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -61.8 -24.37 66.81 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.603 -0.685 . . . . 0.0 110.316 -179.529 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -80.69 -45.83 16.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.157 -0.964 . . . . 0.0 108.828 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 80' ' ' LEU . 87.6 mt -62.51 -35.5 79.58 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HA ' HD23 ' A' ' 81' ' ' LEU . 11.3 mt -74.28 -34.41 63.55 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 55.9 t0 -55.0 -52.86 61.82 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -65.39 -33.6 76.34 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.838 ' CE2' HD11 ' A' ' 88' ' ' LEU . 36.6 t80 -65.51 -28.37 69.14 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -76.03 -39.11 56.35 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.04 -1.038 . . . . 0.0 108.872 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.9 m -68.27 -33.41 74.31 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.626 -0.671 . . . . 0.0 109.192 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 14' ' ' THR . 16.1 tp10 -74.22 -38.02 63.68 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.51 -0.744 . . . . 0.0 109.087 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.838 HD11 ' CE2' ' A' ' 84' ' ' PHE . 74.6 mt -65.09 -39.6 93.42 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.478 -0.764 . . . . 0.0 109.078 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.496 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -75.21 -24.82 57.81 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.537 -0.727 . . . . 0.0 109.78 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -71.21 -49.4 43.88 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.191 -0.943 . . . . 0.0 108.573 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.13 -28.12 67.04 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 15.6 mt -72.16 -33.63 67.86 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.297 -0.877 . . . . 0.0 109.498 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.38 -43.14 67.46 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 109.376 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -67.69 -46.82 71.21 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.508 -0.745 . . . . 0.0 109.114 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.766 HD23 HG23 ' A' ' 53' ' ' ILE . 77.3 mt . . . . . 0 C--O 1.217 -0.632 0 O-C-N 121.918 -0.489 . . . . 0.0 109.931 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--O 1.214 -0.782 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.686 ' HB2' HG21 ' A' ' 55' ' ' VAL . 67.6 m -67.89 -41.34 82.89 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.149 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.825 HG12 ' HA ' ' A' ' 55' ' ' VAL . 14.1 mt -75.71 -37.26 35.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 0.9 OUTLIER -64.94 -31.37 72.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.836 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -72.17 -48.1 45.93 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.171 -0.956 . . . . 0.0 108.61 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.76 -31.27 51.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 121.773 -0.58 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.61 -35.93 67.97 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.838 -1.164 . . . . 0.0 109.581 -178.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 120' ' ' ARG . 56.1 mtmt -73.07 -31.67 64.54 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.198 -0.939 . . . . 0.0 108.642 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.714 ' CE2' HD11 ' A' ' 126' ' ' ILE . 80.7 t80 -64.77 -50.7 65.78 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.469 ' CE2' HG12 ' A' ' 63' ' ' ILE . 23.1 m-85 -67.73 -26.85 66.35 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.782 -0.574 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -63.23 -42.04 99.19 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.67 -38.06 83.23 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.714 HD11 ' CE2' ' A' ' 122' ' ' TYR . 67.0 mt -60.8 -38.81 79.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 O-C-N 121.573 -0.704 . . . . 0.0 109.167 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 m -66.56 -40.36 88.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.392 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 128' ' ' LEU . 6.2 tt -62.4 -45.06 94.85 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.416 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.3 t80 -58.6 -35.21 72.07 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.674 -0.641 . . . . 0.0 109.569 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 66' ' ' LEU . 83.5 mt -69.34 -42.44 75.29 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -69.66 -26.06 64.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.909 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.59 -49.38 21.93 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.378 -0.826 . . . . 0.0 109.37 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.644 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.2 mptt -82.26 3.0 29.23 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 109.716 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 56.16 46.81 20.73 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.417 -0.802 . . . . 0.0 109.197 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.95 49.21 16.3 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.665 -0.647 . . . . 0.0 109.724 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 133' ' ' LYS . 46.7 t -72.46 150.44 91.52 Favored Pre-proline 0 C--O 1.216 -0.684 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.45 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.4 -30.82 62.61 Favored 'Trans proline' 0 C--N 1.352 0.721 0 O-C-N 123.583 1.307 . . . . 0.0 110.759 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.07 -41.1 51.57 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.644 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.75 -38.52 90.87 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 109.082 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.613 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 13.6 m95 -67.43 -33.09 74.44 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.577 -0.702 . . . . 0.0 109.76 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.591 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -67.23 -46.48 73.65 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.646 HG21 ' O ' ' A' ' 32' ' ' ASP . 72.9 t -60.25 -40.67 84.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 139' ' ' ALA . 91.5 t -69.83 -26.08 29.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 121.676 -0.64 . . . . 0.0 109.478 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.701 ' NH1' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -66.3 -50.6 63.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.275 -0.891 . . . . 0.0 108.826 178.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.72 -33.48 75.72 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.433 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 47.2 mm-40 -68.26 -36.78 79.96 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.617 -0.677 . . . . 0.0 109.833 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 143' ' ' VAL . 21.4 mm -72.83 -36.97 53.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 121.355 -0.841 . . . . 0.0 109.108 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.436 ' HG3' HD22 ' A' ' 15' ' ' LEU . 31.7 ttm -65.03 -45.13 86.75 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.492 -0.755 . . . . 0.0 109.904 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -69.84 -43.8 71.24 Favored 'General case' 0 C--O 1.211 -0.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.918 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.543 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 64.2 p -63.32 -40.43 97.31 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.466 -0.771 . . . . 0.0 109.876 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.941 ' HB3' HD21 ' A' ' 15' ' ' LEU . 45.6 t80 -71.44 -39.15 71.19 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.44 -0.787 . . . . 0.0 109.969 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.403 ' HB3' HD13 ' A' ' 15' ' ' LEU . 65.3 p -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.478 -0.764 . . . . 0.0 109.162 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.526 HD22 ' OE1' ' A' ' 40' ' ' GLN . 56.1 mt -71.87 -37.94 70.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 3.7 m -75.02 -32.85 61.7 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.548 -0.72 . . . . 0.0 109.821 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.657 HG21 ' HB2' ' A' ' 11' ' ' SER . 34.0 p -89.79 -5.82 56.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.348 -0.845 . . . . 0.0 110.49 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--O 1.217 -0.639 0 O-C-N 121.164 -0.96 . . . . 0.0 109.587 178.588 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.213 -0.827 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.45 -42.43 87.62 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.592 -0.693 . . . . 0.0 109.868 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -74.19 -40.9 62.21 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.432 -0.793 . . . . 0.0 110.079 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 17' ' ' LEU . 57.9 m -62.71 -45.83 90.93 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.366 -0.834 . . . . 0.0 109.605 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.832 HD21 ' HB3' ' A' ' 151' ' ' PHE . 41.7 mt -66.99 -33.31 75.29 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.712 -0.617 . . . . 0.0 109.598 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -64.81 -40.16 94.76 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.261 -0.9 . . . . 0.0 108.792 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.854 HD11 ' HG3' ' A' ' 87' ' ' GLU . 53.5 mt -60.49 -47.24 86.99 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 84' ' ' PHE . 82.7 mt -58.54 -37.7 76.24 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.818 -0.552 . . . . 0.0 109.614 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.72 -46.63 89.66 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.634 -0.666 . . . . 0.0 109.683 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -73.67 -21.35 60.29 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.508 -0.745 . . . . 0.0 110.136 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.519 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -70.91 -22.81 62.2 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 121.287 -0.883 . . . . 0.0 110.717 -179.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB3' ' NH2' ' A' ' 22' ' ' ARG . 12.0 ttp-105 -63.92 116.61 5.99 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.932 -1.105 . . . . 0.0 109.792 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.1 mptm? -92.67 -36.28 13.04 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.628 -0.67 . . . . 0.0 109.643 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.1 pt -114.22 165.29 9.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 121.65 0.738 . . . . 0.0 110.305 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -84.49 140.63 31.33 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.623 -0.673 . . . . 0.0 109.223 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.54 ' O ' HD13 ' A' ' 30' ' ' LEU . 43.3 tp -59.84 -39.14 84.13 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.783 ' HA ' HD13 ' A' ' 30' ' ' LEU . 91.1 m-85 -58.2 -41.23 83.54 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -59.03 -33.41 70.71 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.866 ' SG ' HD12 ' A' ' 24' ' ' ILE . 68.2 m -101.88 50.92 0.84 Allowed 'General case' 0 C--O 1.219 -0.525 0 O-C-N 121.825 -0.547 . . . . 0.0 109.602 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.783 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.84 7.34 27.52 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.316 -0.865 . . . . 0.0 109.715 178.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -101.87 -21.63 14.52 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.241 -0.912 . . . . 0.0 109.2 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.721 ' O ' HG21 ' A' ' 142' ' ' VAL . 11.5 t70 -112.4 26.72 10.29 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.519 -0.738 . . . . 0.0 109.594 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -87.09 122.29 30.7 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.057 -1.027 . . . . 0.0 109.531 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -141.17 147.99 39.3 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.599 -0.688 . . . . 0.0 109.571 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.76 126.91 33.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.528 -0.733 . . . . 0.0 109.309 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.4 m-85 -85.34 -51.37 6.61 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.594 -0.691 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 67.02 0.53 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 85.2 t80 -76.59 131.8 73.51 Favored Pre-proline 0 C--O 1.217 -0.621 0 O-C-N 121.548 -0.972 . . . . 0.0 108.826 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 55.1 Cg_endo -80.59 70.73 7.4 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 O-C-N 123.808 1.425 . . . . 0.0 111.459 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.668 ' HG2' HD22 ' A' ' 153' ' ' LEU . 41.8 tp60 -79.45 -22.89 43.55 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.202 -0.937 . . . . 0.0 108.996 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -28.82 65.39 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.28 -0.887 . . . . 0.0 109.167 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.1 35.91 2.26 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CD2' ' HA ' ' A' ' 154' ' ' SER . 1.3 m-85 . . . . . 0 C--O 1.215 -0.752 0 O-C-N 121.362 -0.836 . . . . 0.0 111.621 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.491 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.21 -0.98 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.81 HG23 HD23 ' A' ' 95' ' ' LEU . 22.9 mt -54.57 -46.05 99.32 Favored Pre-proline 0 C--O 1.213 -0.839 0 O-C-N 120.982 -1.074 . . . . 0.0 110.496 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.1 Cg_endo -67.56 -32.24 31.71 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.204 1.107 . . . . 0.0 110.679 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.768 ' HA ' HG12 ' A' ' 116' ' ' ILE . 6.0 t -71.51 -44.88 70.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.597 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 86.9 mt -62.25 -35.61 79.47 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.468 ' O ' HD21 ' A' ' 92' ' ' LEU . 61.5 t-80 -59.76 -53.57 56.43 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.759 -0.588 . . . . 0.0 109.731 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 116' ' ' ILE . 3.4 mt-10 -69.27 -23.66 63.87 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.213 -0.93 . . . . 0.0 109.614 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 ttt -70.13 -35.78 74.33 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.316 -0.865 . . . . 0.0 108.746 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.627 HG23 ' CD2' ' A' ' 88' ' ' LEU . 15.3 mm -70.43 -33.1 52.41 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -68.94 -34.22 74.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.435 -0.791 . . . . 0.0 108.963 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -71.65 -41.52 68.69 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.431 -0.793 . . . . 0.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.539 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.9 mt -73.64 -25.11 20.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.337 -0.852 . . . . 0.0 108.797 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.561 ' HA ' HD13 ' A' ' 88' ' ' LEU . 24.6 t80 -68.03 -47.12 69.3 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.328 -0.858 . . . . 0.0 109.285 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.568 ' O ' HG23 ' A' ' 69' ' ' THR . 43.2 t30 -77.69 -34.96 52.64 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.544 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 130' ' ' LEU . 52.9 tp -61.85 -28.85 69.78 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 121.396 -0.815 . . . . 0.0 109.499 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.7 m-85 -101.25 -21.78 14.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.388 -0.82 . . . . 0.0 109.926 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 8.6 t -80.17 -22.74 41.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.831 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 65' ' ' ASN . 2.4 p -50.54 147.26 4.71 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 110.007 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.52 -26.62 68.65 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.848 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.459 ' HB2' ' CG ' ' A' ' 135' ' ' TYR . 1.4 p30 -74.45 -15.51 60.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.165 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.472 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.4 m -104.99 -32.96 8.5 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.338 -0.851 . . . . 0.0 109.587 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 59.9 m -64.32 -31.72 73.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.649 -0.657 . . . . 0.0 109.335 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.46 -29.99 25.63 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.31 87.08 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.693 -0.63 . . . . 0.0 110.05 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.401 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 68.2 m95 -114.27 173.88 6.23 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.602 -0.686 . . . . 0.0 109.856 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.75 132.55 45.51 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.4 pp20? -64.33 -26.38 68.45 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.439 -0.788 . . . . 0.0 110.3 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -78.68 -45.03 22.3 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.12 -0.988 . . . . 0.0 108.728 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 80' ' ' LEU . 92.5 mt -62.42 -39.46 93.37 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.84 -33.11 70.33 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 10.6 t70 -55.76 -51.49 67.19 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 74.4 mmtt -65.22 -35.11 80.03 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.847 ' HA ' HD13 ' A' ' 17' ' ' LEU . 26.2 t80 -63.66 -30.36 71.48 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.712 -0.618 . . . . 0.0 109.616 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 24.6 m-85 -75.26 -43.71 49.94 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.048 -1.033 . . . . 0.0 109.396 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -64.83 -35.3 80.66 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.561 -0.712 . . . . 0.0 109.922 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.854 ' HG3' HD11 ' A' ' 17' ' ' LEU . 60.2 mm-40 -73.94 -31.94 63.27 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.236 -0.915 . . . . 0.0 109.533 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 84' ' ' PHE . 59.4 mt -69.92 -41.37 74.72 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.506 -0.746 . . . . 0.0 109.747 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.497 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 11.6 t80 -77.34 -33.93 55.32 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.264 -0.897 . . . . 0.0 110.134 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -65.53 -47.26 76.52 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.226 -0.922 . . . . 0.0 108.707 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -66.84 -28.62 68.49 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.508 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.6 mt -68.34 -35.56 77.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.543 -0.723 . . . . 0.0 109.48 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.23 -42.11 76.11 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.392 -0.818 . . . . 0.0 109.236 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.35 -41.33 85.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.485 -0.759 . . . . 0.0 109.451 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.81 HD23 HG23 ' A' ' 53' ' ' ILE . 63.3 mt . . . . . 0 C--O 1.216 -0.691 0 O-C-N 121.829 -0.544 . . . . 0.0 110.316 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.215 -0.721 0 CA-C-O 120.722 0.296 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.482 ' OG ' HG22 ' A' ' 55' ' ' VAL . 16.0 p -61.15 -49.66 76.31 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.281 -0.887 . . . . 0.0 108.836 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.768 HG12 ' HA ' ' A' ' 55' ' ' VAL . 77.1 mt -67.44 -28.49 42.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.756 HD23 ' HD3' ' A' ' 120' ' ' ARG . 32.9 mt -66.25 -32.94 74.67 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.94 -44.67 76.27 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.02 -25.19 29.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 121.319 -0.863 . . . . 0.0 108.981 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.756 ' HD3' HD23 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.34 -43.76 73.0 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.151 -0.968 . . . . 0.0 109.92 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 118' ' ' ALA . 18.8 ptpt -69.67 -31.09 68.96 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.394 -0.816 . . . . 0.0 109.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.687 ' CE2' HD11 ' A' ' 126' ' ' ILE . 56.6 t80 -66.06 -51.71 55.67 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.478 -0.764 . . . . 0.0 109.076 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.48 -24.44 64.69 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.694 -0.629 . . . . 0.0 109.982 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -64.22 -41.84 96.85 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.25 -34.73 75.25 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.687 HD11 ' CE2' ' A' ' 122' ' ' TYR . 47.2 mt -66.09 -36.31 77.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.419 -0.801 . . . . 0.0 109.492 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.3 m -68.27 -42.89 78.91 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.422 -0.799 . . . . 0.0 109.173 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -69.21 -31.79 70.62 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.554 -0.716 . . . . 0.0 109.379 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.83 -43.36 99.02 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.532 -0.73 . . . . 0.0 109.289 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 66' ' ' LEU . 52.7 mt -67.0 -37.49 84.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -69.38 -29.55 67.34 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.489 -0.757 . . . . 0.0 109.716 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.466 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 7.2 tt0 -71.07 -50.15 36.91 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.466 -0.771 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.6 mptp? -81.29 3.67 23.22 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.767 -0.583 . . . . 0.0 109.748 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 55.23 44.85 26.93 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.459 ' CG ' ' HB2' ' A' ' 71' ' ' ASP . 32.1 m-85 59.13 53.58 5.39 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.653 -0.654 . . . . 0.0 110.025 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 133' ' ' LYS . 18.6 m -76.12 161.17 76.28 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.381 -0.825 . . . . 0.0 109.153 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.51 -41.89 3.01 Favored 'Trans proline' 0 C--O 1.216 -0.623 0 O-C-N 123.732 1.385 . . . . 0.0 110.779 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.96 -34.87 73.96 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.494 -0.754 . . . . 0.0 109.158 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -65.81 -37.47 86.36 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.529 -0.732 . . . . 0.0 109.356 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.472 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 17.9 m95 -70.54 -34.19 72.0 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.486 -0.759 . . . . 0.0 109.865 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HG3' HG13 ' A' ' 24' ' ' ILE . 11.6 tm-20 -67.7 -43.08 80.93 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.721 HG21 ' O ' ' A' ' 32' ' ' ASP . 82.4 t -61.84 -40.99 88.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 139' ' ' ALA . 85.4 t -71.95 -25.68 24.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.69 -0.632 . . . . 0.0 109.488 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.485 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 2.1 tmt_? -65.5 -51.12 62.32 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.63 73.02 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 120.999 0.428 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.05 -33.8 68.26 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.428 -0.795 . . . . 0.0 110.038 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 mm -76.13 -35.86 29.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.826 0 O-C-N 121.411 -0.806 . . . . 0.0 109.502 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.471 ' SD ' HD22 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -74.9 -33.72 62.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.491 -0.756 . . . . 0.0 109.217 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -43.9 57.38 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.363 -0.836 . . . . 0.0 109.05 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.615 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.9 p -65.49 -32.67 74.41 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.514 -0.741 . . . . 0.0 109.121 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.832 ' HB3' HD21 ' A' ' 15' ' ' LEU . 12.3 t80 -69.71 -44.85 69.52 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.9 t -62.9 -36.52 83.63 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.668 HD22 ' HG2' ' A' ' 40' ' ' GLN . 65.6 mt -64.9 -49.98 68.34 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.605 -0.685 . . . . 0.0 109.554 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 51.5 p -60.11 -40.45 89.72 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.809 -0.557 . . . . 0.0 110.568 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.808 HG21 ' CE1' ' A' ' 151' ' ' PHE . 17.6 p -93.61 0.89 56.74 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.866 -0.521 . . . . 0.0 111.103 -175.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 . . . . . 0 CA--C 1.542 0.643 0 O-C-N 121.132 -0.98 . . . . 0.0 109.215 177.365 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.522 ' HB2' HG21 ' A' ' 155' ' ' THR . 72.7 p . . . . . 0 C--O 1.217 -0.65 0 CA-C-O 120.984 0.421 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -63.13 -41.11 99.26 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.503 -0.748 . . . . 0.0 109.584 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 20.9 tpp180 -71.04 -35.63 72.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.477 -0.765 . . . . 0.0 109.862 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.3 m -62.88 -44.98 94.65 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.389 -0.819 . . . . 0.0 109.318 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 151' ' ' PHE . 74.7 mt -68.12 -31.68 71.45 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.586 -0.697 . . . . 0.0 109.175 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.22 -38.18 90.13 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 17' ' ' LEU . 37.7 mt -64.1 -41.85 97.13 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 HD23 ' A' ' 15' ' ' LEU . 61.1 mt -60.05 -30.64 69.33 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.718 -0.614 . . . . 0.0 109.531 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.48 63.4 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.757 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.44 -39.11 74.53 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.484 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.7 ptp -65.78 -22.46 66.57 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.737 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -55.63 106.41 0.25 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.703 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.605 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -94.47 -39.14 10.58 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.741 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.1 pt -106.2 170.57 2.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-O 121.524 0.678 . . . . 0.0 109.84 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.5 m -101.0 150.11 23.23 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.539 HD11 ' HG2' ' A' ' 33' ' ' ARG . 22.3 tp -64.42 -30.06 71.11 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -68.08 -37.61 81.42 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.023 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -66.71 -25.8 66.71 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.055 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 24' ' ' ILE . 34.2 m -114.86 54.17 0.79 Allowed 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.502 -0.749 . . . . 0.0 109.891 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 55.9 mt -82.43 0.74 40.77 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.157 -0.964 . . . . 0.0 110.393 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -82.8 -30.04 29.12 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.301 -0.874 . . . . 0.0 108.981 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.7 ' O ' HG21 ' A' ' 142' ' ' VAL . 63.7 m-20 -105.88 10.82 32.37 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.75 -0.594 . . . . 0.0 109.828 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HG2' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.9 109.91 5.32 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.239 -0.913 . . . . 0.0 109.693 -179.153 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -149.09 135.51 19.36 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.24 124.41 27.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.39 -0.819 . . . . 0.0 108.894 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 72.4 m-85 -73.24 -50.44 22.37 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.523 -0.736 . . . . 0.0 109.643 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.9 66.87 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 87.2 t80 -71.38 131.47 86.59 Favored Pre-proline 0 C--O 1.216 -0.659 0 O-C-N 121.638 -0.919 . . . . 0.0 108.999 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.0 Cg_endo -79.48 67.05 8.72 Favored 'Trans proline' 0 C--N 1.351 0.708 0 O-C-N 123.732 1.385 . . . . 0.0 111.04 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.667 ' HG3' HD22 ' A' ' 153' ' ' LEU . 3.0 tm0? -75.1 -14.62 60.59 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.338 -0.851 . . . . 0.0 109.097 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -61.26 -30.64 70.58 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.26 -0.9 . . . . 0.0 108.783 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -95.55 26.93 3.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 9.1 m-85 . . . . . 0 C--O 1.218 -0.596 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.475 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 14.6 t . . . . . 0 C--O 1.214 -0.768 0 CA-C-O 120.796 0.331 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.618 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 45.1 mt -57.53 -45.02 99.89 Favored Pre-proline 0 C--O 1.215 -0.763 0 O-C-N 121.038 -1.039 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -64.67 -28.71 60.45 Favored 'Trans proline' 0 C--N 1.357 0.989 0 O-C-N 123.106 1.056 . . . . 0.0 110.635 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.673 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.9 t -76.25 -37.96 32.85 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.837 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 40.9 mt -67.83 -31.3 71.05 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CD2' HD23 ' A' ' 92' ' ' LEU . 61.2 t-80 -69.48 -47.86 62.55 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.447 -0.783 . . . . 0.0 109.672 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.867 ' HG3' HD13 ' A' ' 116' ' ' ILE . 80.8 mm-40 -73.08 -31.5 64.42 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.5 -0.75 . . . . 0.0 110.299 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.441 ' CG ' HG11 ' A' ' 119' ' ' VAL . 8.0 ttt -71.66 -41.78 68.3 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.199 -0.938 . . . . 0.0 109.063 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.675 HG23 HD22 ' A' ' 88' ' ' LEU . 3.5 mt -70.01 -27.11 31.45 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 O-C-N 121.421 -0.799 . . . . 0.0 108.9 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.68 -38.36 70.62 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -67.11 -37.62 84.23 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.5 -0.75 . . . . 0.0 109.38 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.529 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.8 mt -72.81 -30.78 34.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.475 ' HA ' HD13 ' A' ' 88' ' ' LEU . 15.4 t80 -62.17 -48.46 79.99 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 121.459 -0.775 . . . . 0.0 109.433 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.799 ' O ' HG23 ' A' ' 69' ' ' THR . 20.5 t-20 -76.71 -37.11 56.64 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.502 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 130' ' ' LEU . 44.5 tp -57.94 -33.35 68.72 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.526 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 63' ' ' ILE . 17.9 m-85 -97.18 -24.05 15.91 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 110.047 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 13.2 t -77.67 -17.5 57.62 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.799 HG23 ' O ' ' A' ' 65' ' ' ASN . 30.0 p -55.97 150.41 13.56 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.228 -0.92 . . . . 0.0 110.213 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.8 -25.49 67.52 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 109.99 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.406 ' HB2' ' CG ' ' A' ' 135' ' ' TYR . 1.0 OUTLIER -76.99 -32.89 57.55 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.44 -0.788 . . . . 0.0 110.063 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.486 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 23.7 t -86.19 -32.59 21.13 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.255 -0.903 . . . . 0.0 109.705 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 26.5 t -64.62 -36.44 84.27 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.584 -0.697 . . . . 0.0 109.258 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -24.43 33.04 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.48 72.28 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.46 -0.775 . . . . 0.0 109.999 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.605 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 78.9 m95 -118.47 176.16 5.38 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.636 -0.665 . . . . 0.0 109.897 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 133.93 49.16 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -67.92 -28.13 67.23 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.352 -0.843 . . . . 0.0 110.564 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.1 m -78.12 -44.33 26.39 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.059 -1.025 . . . . 0.0 109.001 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.9 -38.5 91.2 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 81' ' ' LEU . 11.3 mt -71.45 -33.21 69.17 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -49.16 74.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -64.95 -34.59 78.77 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 88' ' ' LEU . 12.7 t80 -64.1 -32.29 73.8 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.786 -0.571 . . . . 0.0 109.659 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -76.63 -35.37 58.08 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.042 -1.036 . . . . 0.0 109.597 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.9 m -69.24 -39.93 78.2 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.453 -0.78 . . . . 0.0 109.868 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.416 ' OE2' HD11 ' A' ' 17' ' ' LEU . 19.8 mt-10 -73.41 -34.04 65.28 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.275 -0.891 . . . . 0.0 109.823 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.675 HD22 HG23 ' A' ' 60' ' ' ILE . 81.8 mt -69.49 -38.72 77.77 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.378 -0.826 . . . . 0.0 109.372 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.6 -38.04 59.36 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.55 -0.719 . . . . 0.0 110.527 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -68.71 -45.95 70.23 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.187 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -66.7 -26.22 66.92 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.551 -0.718 . . . . 0.0 109.192 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.41 HD23 ' CD2' ' A' ' 57' ' ' HIS . 6.5 mt -70.17 -47.11 63.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.367 -0.833 . . . . 0.0 109.452 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.56 -32.7 74.45 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.507 -0.745 . . . . 0.0 109.967 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.83 61.99 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.261 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 53' ' ' ILE . 31.5 mt . . . . . 0 C--O 1.217 -0.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 C--O 1.215 -0.734 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.4 ' HB2' HG11 ' A' ' 55' ' ' VAL . 1.4 p -64.13 -43.75 94.29 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.867 HD13 ' HG3' ' A' ' 58' ' ' GLU . 76.3 mt -66.2 -33.08 61.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 117' ' ' LEU . 27.2 mt -66.31 -34.52 78.18 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.686 -0.634 . . . . 0.0 109.555 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.555 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.95 -48.65 73.31 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.441 HG11 ' CG ' ' A' ' 59' ' ' MET . 91.3 t -63.27 -27.24 42.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.4 -43.0 95.78 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.464 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -69.23 -34.14 74.37 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.434 -0.791 . . . . 0.0 109.453 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.662 ' CE2' HD11 ' A' ' 126' ' ' ILE . 67.4 t80 -63.55 -50.89 67.74 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.487 -0.758 . . . . 0.0 109.686 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.47 -20.73 61.33 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.635 -0.666 . . . . 0.0 110.411 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -40.43 81.93 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 21.1 tpt180 -68.68 -39.06 80.74 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.662 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.4 mt -61.74 -39.51 83.58 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.628 -0.67 . . . . 0.0 109.616 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -66.98 -36.29 81.85 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.6 tt -68.73 -38.55 80.27 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 121.45 -0.781 . . . . 0.0 109.291 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.479 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -63.02 -35.33 79.86 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.543 -0.723 . . . . 0.0 109.694 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 66' ' ' LEU . 79.1 mt -72.41 -38.78 68.3 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.569 -0.707 . . . . 0.0 109.676 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.82 -21.06 55.63 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.098 -1.001 . . . . 0.0 109.686 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 13.7 tt0 -77.62 -49.08 15.3 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 108.991 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.606 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 1.3 mptm? -83.22 4.49 26.61 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 58.82 41.0 22.25 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.357 -0.84 . . . . 0.0 110.173 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 32.6 m-85 59.74 49.59 7.97 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.527 -0.733 . . . . 0.0 109.973 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.419 ' HB2' ' HB3' ' A' ' 133' ' ' LYS . 11.0 m -81.54 160.96 63.32 Favored Pre-proline 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.222 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.62 ' O ' HD11 ' A' ' 24' ' ' ILE . 41.6 Cg_endo -69.15 -32.62 20.73 Favored 'Trans proline' 0 C--O 1.216 -0.616 0 O-C-N 123.881 1.464 . . . . 0.0 110.915 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 3.7 m -71.19 -45.87 62.49 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.545 -0.722 . . . . 0.0 109.377 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.41 -36.05 81.14 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.429 -0.794 . . . . 0.0 108.939 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.509 ' CE2' HD22 ' A' ' 130' ' ' LEU . 17.9 m95 -70.12 -36.71 75.01 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.547 -0.721 . . . . 0.0 109.989 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -64.2 -40.26 95.7 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.375 -0.828 . . . . 0.0 109.404 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.7 HG21 ' O ' ' A' ' 32' ' ' ASP . 96.1 t -65.46 -42.06 92.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 147' ' ' ILE . 99.2 t -71.05 -22.04 22.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 O-C-N 121.706 -0.621 . . . . 0.0 109.374 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.18 60.34 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.136 -0.977 . . . . 0.0 108.697 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.34 73.79 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.872 -0.518 . . . . 0.0 109.66 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.449 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 32.3 mm-40 -69.38 -35.28 75.66 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.649 -0.657 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.8 mm -74.2 -33.03 33.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 121.31 -0.869 . . . . 0.0 109.451 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.3 ttm -70.62 -37.58 73.85 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.469 -0.77 . . . . 0.0 109.018 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -72.19 -47.81 47.9 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.584 -0.697 . . . . 0.0 109.673 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 60.6 p -61.22 -42.43 98.59 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.69 -0.631 . . . . 0.0 110.176 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.882 ' HB3' HD21 ' A' ' 15' ' ' LEU . 48.7 t80 -65.49 -39.01 91.42 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.423 -0.798 . . . . 0.0 109.428 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.2 t -67.74 -36.0 79.76 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.488 -0.757 . . . . 0.0 109.39 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.667 HD22 ' HG3' ' A' ' 40' ' ' GLN . 53.1 mt -65.44 -39.62 92.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.532 -0.73 . . . . 0.0 109.811 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.611 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 51.4 m -73.0 -30.72 63.99 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.611 -0.681 . . . . 0.0 110.623 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.522 HG21 ' HB2' ' A' ' 11' ' ' SER . 73.5 p -94.38 -7.25 42.18 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.265 -0.897 . . . . 0.0 111.035 -178.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.2 m120 . . . . . 0 C--O 1.216 -0.66 0 O-C-N 120.846 -1.159 . . . . 0.0 110.235 178.756 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.867 ' HB3' HG21 ' A' ' 155' ' ' THR . 47.6 m . . . . . 0 C--O 1.216 -0.695 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 24.4 tpt180 -66.88 -35.12 79.29 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.377 -0.827 . . . . 0.0 109.413 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -66.25 -37.23 85.02 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.41 -0.807 . . . . 0.0 108.837 178.386 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.6 m -63.21 -41.31 99.13 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 151' ' ' PHE . 65.0 mt -69.2 -32.66 72.1 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.752 -0.593 . . . . 0.0 109.625 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.9 -36.23 82.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 84' ' ' PHE . 68.0 mt -61.47 -45.92 92.22 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.745 HD12 HD23 ' A' ' 15' ' ' LEU . 57.6 mt -56.3 -41.7 76.35 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.872 -0.517 . . . . 0.0 109.847 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.21 -44.34 95.22 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.601 -0.687 . . . . 0.0 109.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -70.82 -23.08 62.29 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.413 -0.804 . . . . 0.0 110.125 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.538 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 2.0 mtm -74.68 -11.36 60.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 121.265 -0.897 . . . . 0.0 111.172 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -70.46 111.86 6.32 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.624 -1.297 . . . . 0.0 109.496 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' A' ' 21' ' ' MET . 5.0 mptp? -92.23 -37.31 12.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.603 -0.686 . . . . 0.0 109.327 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.867 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.4 pt -108.7 170.8 2.68 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.02 146.66 27.14 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.467 -0.77 . . . . 0.0 108.936 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.01 -31.15 72.23 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 74.7 m-85 -68.01 -38.06 82.17 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 176.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.5 m -66.21 -28.78 69.01 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.867 ' SG ' HD12 ' A' ' 24' ' ' ILE . 12.3 m -112.95 56.26 0.68 Allowed 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.549 -0.719 . . . . 0.0 109.896 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 69.7 mt -83.78 3.65 32.52 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 120.871 -1.143 . . . . 0.0 110.413 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -86.95 -12.96 46.03 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.158 -0.964 . . . . 0.0 109.678 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.678 ' O ' HG21 ' A' ' 142' ' ' VAL . 7.2 t70 -111.02 24.39 12.97 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.366 -0.834 . . . . 0.0 109.932 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.529 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 60.9 mtm-85 -67.66 101.28 1.01 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 120.674 -1.266 . . . . 0.0 109.846 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -143.86 118.95 10.07 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.514 -0.741 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -79.45 132.85 36.48 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 80.4 m-85 -86.49 -49.76 7.35 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.02 76.57 1.04 Allowed Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 80.4 t80 -72.91 134.48 81.18 Favored Pre-proline 0 C--O 1.216 -0.677 0 O-C-N 121.468 -1.019 . . . . 0.0 108.826 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 53.2 Cg_endo -81.33 75.82 4.75 Favored 'Trans proline' 0 C--N 1.351 0.675 0 O-C-N 123.648 1.341 . . . . 0.0 110.897 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.801 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -78.55 -13.06 60.01 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.165 -0.96 . . . . 0.0 109.363 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.08 -28.5 69.12 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -85.46 8.24 19.81 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.748 -0.595 . . . . 0.0 109.788 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 57.1 m-85 . . . . . 0 C--O 1.218 -0.579 0 O-C-N 121.251 -0.905 . . . . 0.0 108.795 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.561 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 16.7 p . . . . . 0 C--O 1.206 -1.212 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.79 HG23 HD23 ' A' ' 95' ' ' LEU . 13.4 mt -45.26 -46.61 32.73 Favored Pre-proline 0 N--CA 1.476 0.846 0 O-C-N 121.068 -1.02 . . . . 0.0 111.117 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.7 Cg_endo -67.1 -36.64 21.2 Favored 'Trans proline' 0 C--N 1.354 0.824 0 O-C-N 123.114 1.06 . . . . 0.0 110.646 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.763 ' HA ' HG12 ' A' ' 116' ' ' ILE . 20.9 t -71.25 -39.08 72.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.484 -0.76 . . . . 0.0 109.187 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.572 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 25.9 mt -68.09 -33.68 74.98 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' HD23 ' A' ' 92' ' ' LEU . 62.9 t-80 -62.66 -46.43 88.24 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.811 ' HG3' HD13 ' A' ' 116' ' ' ILE . 58.1 mm-40 -71.29 -29.68 65.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.517 -0.74 . . . . 0.0 109.309 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.5 tpp -64.66 -36.95 85.93 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.788 HG21 ' HG ' ' A' ' 92' ' ' LEU . 4.6 mm -71.1 -33.79 52.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -69.43 -35.56 75.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.561 -0.712 . . . . 0.0 109.579 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -71.59 -40.27 69.98 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.442 -0.786 . . . . 0.0 109.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.587 HG23 ' CE1' ' A' ' 67' ' ' PHE . 78.0 mt -76.6 -27.31 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.006 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 88' ' ' LEU . 41.3 t80 -68.08 -43.03 79.5 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.232 -0.918 . . . . 0.0 109.22 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 69' ' ' THR . 47.2 t30 -80.28 -38.51 30.67 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.635 -0.665 . . . . 0.0 109.895 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.63 -31.07 69.17 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.491 -0.756 . . . . 0.0 109.417 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.587 ' CE1' HG23 ' A' ' 63' ' ' ILE . 8.0 m-85 -95.8 -27.85 15.03 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.578 -0.701 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.459 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.2 t -72.59 -18.97 61.56 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.336 -0.853 . . . . 0.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 65' ' ' ASN . 34.2 p -54.65 151.75 7.76 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.21 -0.931 . . . . 0.0 109.967 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.39 -21.55 66.35 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 109.721 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.3 m-20 -77.27 -43.98 31.43 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.33 -0.856 . . . . 0.0 109.687 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.503 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.4 t -78.27 -29.61 48.09 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.506 -0.746 . . . . 0.0 109.969 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 92.5 p -65.4 -37.97 88.57 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.465 -0.772 . . . . 0.0 109.22 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.34 -21.49 35.97 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.97 67.94 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.121 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.42 ' CE3' ' O ' ' A' ' 21' ' ' MET . 68.5 m95 -119.03 172.68 7.38 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.657 -0.652 . . . . 0.0 109.671 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.66 137.63 52.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.344 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 15.9 pt-20 -66.99 -27.8 67.73 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.661 -0.649 . . . . 0.0 110.176 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.1 m -78.0 -45.19 24.43 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.183 -0.948 . . . . 0.0 108.872 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 80' ' ' LEU . 72.2 mt -63.57 -38.09 89.81 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.77 -33.26 70.59 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 10.6 t70 -55.82 -52.56 63.57 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 83' ' ' LYS . 29.7 mmtp -67.03 -30.57 70.69 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.542 ' HA ' HD13 ' A' ' 17' ' ' LEU . 20.9 t80 -66.66 -29.65 69.72 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.559 -0.713 . . . . 0.0 109.322 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.9 -33.66 51.77 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.267 -0.895 . . . . 0.0 108.909 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.8 m -69.71 -35.41 75.03 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.503 ' HG3' HD11 ' A' ' 17' ' ' LEU . 29.7 mm-40 -74.24 -32.8 63.12 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.455 -0.778 . . . . 0.0 109.291 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 64' ' ' PHE . 46.8 mt -70.36 -40.38 74.06 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.489 -0.757 . . . . 0.0 109.173 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.528 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.6 t80 -76.09 -29.39 57.9 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.223 -0.923 . . . . 0.0 109.671 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -67.48 -47.87 68.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -66.78 -28.55 68.48 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.788 ' HG ' HG21 ' A' ' 60' ' ' ILE . 11.0 mt -71.77 -31.29 66.48 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.465 -0.772 . . . . 0.0 109.508 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -72.32 -42.1 65.82 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.449 -0.782 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -69.77 -45.74 67.36 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.395 -0.815 . . . . 0.0 109.059 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.79 HD23 HG23 ' A' ' 53' ' ' ILE . 67.7 mt . . . . . 0 C--O 1.217 -0.627 0 O-C-N 121.936 -0.478 . . . . 0.0 110.211 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.217 -0.637 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.762 ' HB3' HG21 ' A' ' 55' ' ' VAL . 23.2 t -73.43 -39.24 65.17 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.811 HD13 ' HG3' ' A' ' 58' ' ' GLU . 70.2 mt -64.36 -34.28 68.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 117' ' ' LEU . 5.9 mt -65.19 -35.56 81.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.521 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -68.16 -44.36 76.16 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.85 -23.66 31.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.78 -46.55 62.68 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.43 64.45 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.524 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 54.5 t80 -68.76 -49.69 56.62 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.467 -0.771 . . . . 0.0 109.061 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -70.25 -26.86 64.03 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.794 -0.566 . . . . 0.0 109.961 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -63.87 -42.23 97.56 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.4 -39.67 94.3 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.588 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 61.7 mt -62.97 -36.88 77.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.593 -0.692 . . . . 0.0 109.586 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.4 m -68.44 -41.28 80.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.432 -0.793 . . . . 0.0 109.967 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.1 mm? -69.96 -34.15 73.02 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.446 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 22.0 t80 -65.22 -42.25 93.63 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.44 -0.788 . . . . 0.0 108.893 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 27.6 mt -63.31 -35.56 80.77 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -34.87 77.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.41 -0.806 . . . . 0.0 109.359 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.59 -52.9 48.63 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.623 -0.673 . . . . 0.0 109.736 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.5 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.5 mptt -79.3 1.47 24.89 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.765 -0.584 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 56.53 46.31 20.77 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.393 -0.817 . . . . 0.0 109.799 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.418 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 78.7 m-85 58.38 52.79 6.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.766 -0.584 . . . . 0.0 110.412 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.47 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.0 m -80.43 162.82 59.63 Favored Pre-proline 0 C--O 1.217 -0.644 0 O-C-N 121.309 -0.87 . . . . 0.0 109.378 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -69.86 -41.74 3.89 Favored 'Trans proline' 0 C--N 1.351 0.668 0 O-C-N 123.802 1.422 . . . . 0.0 111.114 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.79 -42.11 91.14 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.613 -0.679 . . . . 0.0 109.346 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.64 -37.02 85.39 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.561 -0.712 . . . . 0.0 109.625 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 10.2 m95 -66.49 -34.8 78.74 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.518 -0.739 . . . . 0.0 110.429 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.18 -37.93 66.35 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.678 HG21 ' O ' ' A' ' 32' ' ' ASP . 48.4 t -60.78 -38.64 79.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.8 t -73.6 -30.06 28.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.469 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 3.0 tmt_? -60.71 -52.09 66.59 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.132 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.01 85.96 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.42 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 4.8 mm-40 -70.42 -29.28 65.85 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.775 -0.578 . . . . 0.0 110.379 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.5 mm -77.2 -30.95 17.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 O-C-N 121.306 -0.872 . . . . 0.0 109.102 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.517 ' HG3' HD22 ' A' ' 15' ' ' LEU . 23.7 ttm -73.83 -39.56 63.95 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.482 -0.761 . . . . 0.0 109.056 178.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 149' ' ' ARG . 12.8 mmt180 -72.71 -40.69 65.96 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 121.511 -0.743 . . . . 0.0 109.624 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.606 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.0 p -66.75 -38.49 86.73 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.439 -0.788 . . . . 0.0 109.628 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.908 ' HB3' HD21 ' A' ' 15' ' ' LEU . 56.4 t80 -72.29 -40.38 67.6 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.499 -0.751 . . . . 0.0 109.552 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 92.1 p -65.84 -34.56 78.44 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.276 -0.89 . . . . 0.0 108.691 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.801 HD22 ' HG3' ' A' ' 40' ' ' GLN . 68.6 mt -68.58 -37.15 79.62 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.694 -0.629 . . . . 0.0 109.454 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 28.2 p -66.45 -36.6 83.19 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.476 -0.765 . . . . 0.0 109.409 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.867 HG21 ' HB3' ' A' ' 11' ' ' SER . 18.2 p -97.12 1.29 49.77 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.847 -0.533 . . . . 0.0 110.54 -176.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.215 -0.724 0 O-C-N 121.156 -0.965 . . . . 0.0 110.52 179.293 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.217 -0.654 0 CA-C-O 120.985 0.421 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -62.5 -39.76 94.54 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 49.7 mmm-85 -69.47 -33.69 73.28 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.691 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -63.23 -43.32 98.41 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.42 -0.8 . . . . 0.0 108.98 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.969 HD21 ' HB3' ' A' ' 151' ' ' PHE . 98.1 mt -68.38 -30.92 69.97 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.7 ttp -65.49 -36.89 85.2 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.935 HD11 ' HG3' ' A' ' 87' ' ' GLU . 81.6 mt -62.85 -44.4 96.23 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 15' ' ' LEU . 34.4 mt -59.29 -40.78 87.23 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.822 -0.549 . . . . 0.0 109.712 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.21 97.37 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.475 -0.766 . . . . 0.0 109.743 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.84 -33.08 73.22 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.439 -0.788 . . . . 0.0 109.957 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.488 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 21.6 mtp -66.19 -23.43 66.45 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.434 -0.791 . . . . 0.0 110.963 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -49.68 128.0 16.98 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HE3' ' CZ3' ' A' ' 76' ' ' TRP . 2.4 mtmp? -109.35 -28.44 8.96 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.856 -0.527 . . . . 0.0 109.882 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.823 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pt -129.42 171.7 16.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 121.467 -0.771 . . . . 0.0 109.929 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -86.18 137.63 32.5 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.554 -0.717 . . . . 0.0 109.077 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.84 -32.92 74.84 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.636 -0.665 . . . . 0.0 109.378 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -63.28 -37.73 88.38 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.8 m -65.86 -29.46 69.91 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.823 ' SG ' HD12 ' A' ' 24' ' ' ILE . 67.2 m -105.15 47.39 0.88 Allowed 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.451 -0.781 . . . . 0.0 110.301 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 mt -85.13 -2.4 57.97 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.152 -0.967 . . . . 0.0 110.031 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -81.83 -30.67 32.04 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.416 -0.802 . . . . 0.0 108.982 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.658 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.2 m-20 -108.14 23.08 15.04 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.614 -0.678 . . . . 0.0 109.93 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -82.82 114.63 21.27 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.952 -1.092 . . . . 0.0 109.207 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -145.13 127.47 15.86 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -74.1 136.19 42.97 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.324 -0.86 . . . . 0.0 109.182 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 59.8 m-85 -87.11 -41.66 13.63 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.559 -0.713 . . . . 0.0 109.771 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.17 71.15 0.62 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 89.9 t80 -67.23 132.76 93.4 Favored Pre-proline 0 C--O 1.217 -0.625 0 O-C-N 121.54 -0.977 . . . . 0.0 108.932 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.3 Cg_endo -81.88 68.28 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 O-C-N 123.653 1.343 . . . . 0.0 111.291 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 5.2 tp60 -73.11 -20.02 61.03 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.233 -0.917 . . . . 0.0 108.796 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.54 -30.03 69.5 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.286 -0.884 . . . . 0.0 108.856 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -88.89 11.21 18.65 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.548 -0.72 . . . . 0.0 109.439 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 12.4 m-85 . . . . . 0 C--O 1.215 -0.712 0 O-C-N 121.416 -0.802 . . . . 0.0 109.109 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.518 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.3 p . . . . . 0 C--O 1.211 -0.973 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.58 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 58.7 mt -45.42 -46.17 33.6 Favored Pre-proline 0 C--O 1.213 -0.846 0 O-C-N 121.479 -0.763 . . . . 0.0 111.68 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.0 Cg_endo -65.27 -39.37 23.16 Favored 'Trans proline' 0 C--N 1.355 0.918 0 O-C-N 123.017 1.009 . . . . 0.0 110.985 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.733 ' HA ' HG12 ' A' ' 116' ' ' ILE . 16.1 t -69.78 -37.76 74.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 20.3 mt -65.55 -34.54 78.49 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 92' ' ' LEU . 45.2 t-80 -60.18 -46.54 89.37 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' CG ' HG23 ' A' ' 116' ' ' ILE . 3.8 tm-20 -69.28 -30.62 68.76 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.461 -0.775 . . . . 0.0 109.07 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 tpp -63.2 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.465 -0.772 . . . . 0.0 109.126 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.629 HG21 ' HG ' ' A' ' 92' ' ' LEU . 8.0 mm -73.8 -30.31 28.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 O-C-N 121.321 -0.862 . . . . 0.0 109.227 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -73.12 -32.07 64.7 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.469 -0.769 . . . . 0.0 109.447 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.438 ' HB3' ' CD2' ' A' ' 123' ' ' PHE . 4.0 mm100 -76.02 -40.54 53.34 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.376 -0.827 . . . . 0.0 109.678 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.596 HG23 ' CE1' ' A' ' 67' ' ' PHE . 83.8 mt -75.24 -29.61 21.8 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 121.316 -0.865 . . . . 0.0 108.779 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' HA ' HD13 ' A' ' 88' ' ' LEU . 28.8 t80 -65.22 -44.59 87.81 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.311 -0.868 . . . . 0.0 109.365 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.656 ' O ' HG23 ' A' ' 69' ' ' THR . 3.4 t-20 -79.87 -38.75 32.02 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.469 -0.77 . . . . 0.0 110.053 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 130' ' ' LEU . 34.5 tp -59.2 -31.34 68.94 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.394 -0.816 . . . . 0.0 109.379 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.596 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.2 m-85 -95.62 -27.09 15.49 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.574 -0.704 . . . . 0.0 109.945 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -75.18 -22.59 57.93 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.282 -0.886 . . . . 0.0 110.39 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 65' ' ' ASN . 14.4 p -51.38 148.87 4.54 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.394 -0.817 . . . . 0.0 110.263 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.56 -26.69 67.1 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.597 -0.689 . . . . 0.0 109.805 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.4 p30 -74.81 -32.59 62.03 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.45 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 20.8 t -90.76 -29.44 17.64 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.298 -0.876 . . . . 0.0 109.752 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.515 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 38.3 t -66.87 -37.03 83.66 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.76 34.69 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.08 86.08 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.568 -0.707 . . . . 0.0 109.805 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.473 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 82.4 m95 -107.77 171.99 7.08 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.359 0.599 . . . . 0.0 109.767 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.503 ' OD2' HD12 ' A' ' 80' ' ' LEU . 37.5 m-20 -68.4 130.84 44.06 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.3 pp20? -63.33 -26.9 68.98 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.404 -0.81 . . . . 0.0 110.482 -178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.8 m -77.93 -45.01 25.18 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.059 -1.025 . . . . 0.0 108.869 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.503 HD12 ' OD2' ' A' ' 77' ' ' ASP . 84.9 mt -63.19 -38.41 91.05 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.515 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.8 mt -71.41 -33.14 69.19 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 8.9 t70 -55.56 -48.51 74.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.71 -33.42 74.86 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.814 ' HA ' HD13 ' A' ' 17' ' ' LEU . 25.3 t80 -67.18 -27.54 67.36 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.658 -0.651 . . . . 0.0 109.694 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -78.41 -43.83 26.43 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.125 -0.984 . . . . 0.0 109.156 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.2 m -64.3 -37.74 88.55 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.8 -0.563 . . . . 0.0 109.565 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.935 ' HG3' HD11 ' A' ' 17' ' ' LEU . 48.0 mm-40 -72.22 -36.83 69.25 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 121.484 -0.76 . . . . 0.0 109.41 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 84' ' ' PHE . 47.3 mt -66.23 -37.03 84.57 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.55 -0.719 . . . . 0.0 109.766 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.29 -39.52 59.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.342 -0.849 . . . . 0.0 109.993 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.78 -48.4 69.13 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.364 -0.835 . . . . 0.0 109.563 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.64 -28.25 69.49 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.504 -0.748 . . . . 0.0 109.066 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.629 ' HG ' HG21 ' A' ' 60' ' ' ILE . 2.0 mt -67.14 -43.77 81.49 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.406 -0.809 . . . . 0.0 108.975 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -60.78 -36.82 79.95 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -66.96 -41.23 87.26 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.558 -0.714 . . . . 0.0 109.274 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.218 -0.581 0 O-C-N 121.737 -0.602 . . . . 0.0 110.264 -179.635 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--O 1.215 -0.727 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.497 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 19.5 t -66.54 -40.03 88.86 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.733 HG12 ' HA ' ' A' ' 55' ' ' VAL . 53.2 mt -68.72 -31.22 49.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.23 -33.78 75.02 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.548 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.85 -48.69 73.4 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.76 -30.85 51.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -68.1 -40.23 82.66 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.246 -0.909 . . . . 0.0 109.697 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -68.47 -35.99 78.34 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.408 -0.808 . . . . 0.0 108.925 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 126' ' ' ILE . 83.0 t80 -63.85 -47.24 81.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 62' ' ' GLN . 13.1 m-85 -70.46 -26.01 63.44 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.754 -0.591 . . . . 0.0 110.107 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -64.28 -41.34 96.95 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -67.63 -38.36 83.76 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.787 HD11 ' CE2' ' A' ' 122' ' ' TYR . 57.8 mt -62.27 -38.04 80.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.525 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.452 HG22 ' HE2' ' A' ' 131' ' ' LYS . 23.1 m -67.32 -41.28 85.56 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.405 -0.809 . . . . 0.0 109.666 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.2 mm? -67.95 -36.21 79.72 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.425 -0.797 . . . . 0.0 109.579 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -63.24 -38.86 92.83 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.498 -0.751 . . . . 0.0 109.342 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 135' ' ' TYR . 64.0 mt -67.28 -42.43 83.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.759 -0.588 . . . . 0.0 109.478 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.46 ' HE3' HD13 ' A' ' 128' ' ' LEU . 56.0 mtmt -70.57 -24.02 62.7 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.802 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.01 -49.17 25.57 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.487 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 13.4 mptt -80.67 1.86 28.28 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.574 -0.704 . . . . 0.0 109.796 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp 60.73 40.02 16.71 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.384 -0.823 . . . . 0.0 109.924 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' A' ' 130' ' ' LEU . 67.2 m-85 58.83 51.66 7.29 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.703 -0.623 . . . . 0.0 110.43 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.437 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 38.2 m -79.21 160.6 70.4 Favored Pre-proline 0 C--O 1.217 -0.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.254 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.8 -36.15 14.4 Favored 'Trans proline' 0 C--N 1.35 0.638 0 O-C-N 123.744 1.392 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.42 -41.99 75.61 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.475 -0.766 . . . . 0.0 109.145 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.53 -36.45 83.85 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.583 -0.698 . . . . 0.0 109.63 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.45 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.0 m95 -68.95 -39.3 79.6 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 110.055 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.7 -36.53 82.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 109.145 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.658 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.4 t -62.67 -42.82 97.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 139' ' ' ALA . 96.7 t -72.36 -24.2 21.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 121.722 -0.611 . . . . 0.0 109.763 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.472 ' NH1' ' HB3' ' A' ' 144' ' ' ARG . 0.2 OUTLIER -69.99 -47.01 63.92 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.091 -1.006 . . . . 0.0 108.888 179.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.11 79.74 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.455 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 56.5 mm-40 -66.52 -37.16 84.42 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.635 -0.665 . . . . 0.0 109.409 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 mm -69.42 -36.95 74.15 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.597 ' CG ' HD22 ' A' ' 15' ' ' LEU . 25.7 ttm -63.89 -49.68 71.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.503 -0.748 . . . . 0.0 109.882 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.61 -44.4 90.69 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.686 -0.634 . . . . 0.0 110.21 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.504 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 64.8 m -65.37 -30.83 71.7 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.969 ' HB3' HD21 ' A' ' 15' ' ' LEU . 34.2 t80 -71.64 -42.57 67.41 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.567 -0.708 . . . . 0.0 109.579 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.8 t -65.96 -35.88 81.8 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.538 -0.726 . . . . 0.0 109.234 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 62.7 mt -65.62 -48.49 72.05 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.646 -0.659 . . . . 0.0 110.046 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 12.4 m -63.86 -45.21 90.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.615 -0.678 . . . . 0.0 110.147 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.429 HG21 ' CE2' ' A' ' 151' ' ' PHE . 67.8 p -78.12 -7.97 57.66 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.447 -0.783 . . . . 0.0 110.875 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.0 t30 . . . . . 0 CA--C 1.542 0.65 0 O-C-N 120.892 -1.13 . . . . 0.0 110.484 179.793 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.769 ' HB3' HG21 ' A' ' 155' ' ' THR . 66.0 m . . . . . 0 C--O 1.216 -0.679 0 CA-C-O 120.847 0.356 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -48.03 77.91 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.373 -0.829 . . . . 0.0 110.07 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.18 -30.19 66.11 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.303 -0.873 . . . . 0.0 110.061 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.541 ' CG2' ' HE1' ' A' ' 84' ' ' PHE . 88.8 m -61.58 -43.56 98.64 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.208 -0.933 . . . . 0.0 109.154 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 151' ' ' PHE . 34.4 mt -70.98 -32.2 68.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 ttp -63.59 -35.39 80.36 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.992 HD13 ' HA ' ' A' ' 84' ' ' PHE . 45.6 mt -63.67 -46.66 84.59 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD12 HD23 ' A' ' 15' ' ' LEU . 65.5 mt -57.48 -35.33 70.05 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.869 -0.519 . . . . 0.0 109.78 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.85 88.18 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.826 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.17 -34.91 73.58 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.477 -0.764 . . . . 0.0 109.832 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.493 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 16.0 mtm -66.1 -27.86 68.38 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.417 -0.802 . . . . 0.0 110.097 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -47.48 122.69 4.95 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.576 -0.703 . . . . 0.0 109.919 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 11.9 mtpt -106.69 -33.18 7.69 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.923 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -128.43 171.41 16.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.648 -0.657 . . . . 0.0 110.055 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -92.56 151.85 19.93 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.673 -0.642 . . . . 0.0 109.588 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.43 -31.69 72.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -68.04 -38.4 82.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.456 -0.778 . . . . 0.0 109.093 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.5 m -66.91 -29.14 68.95 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.487 -0.758 . . . . 0.0 109.12 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.923 ' SG ' HD12 ' A' ' 24' ' ' ILE . 32.0 m -108.88 51.2 0.75 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.56 -0.713 . . . . 0.0 110.057 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.7 mt -82.0 -0.91 46.33 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.119 -0.988 . . . . 0.0 110.231 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.43 -27.13 34.84 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.282 -0.886 . . . . 0.0 109.063 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.762 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.4 m-20 -104.0 21.19 16.84 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 109.434 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -78.2 123.12 26.55 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.117 -0.989 . . . . 0.0 110.075 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 123.12 5.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.8 121.08 16.55 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.433 -0.792 . . . . 0.0 109.471 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.546 ' HE2' ' HB2' ' A' ' 129' ' ' TYR . 77.3 m-85 -75.93 -52.6 9.94 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.649 -0.657 . . . . 0.0 109.498 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.88 66.3 0.34 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.516 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 68.9 t80 -66.29 127.67 93.4 Favored Pre-proline 0 C--O 1.215 -0.717 0 O-C-N 121.519 -0.989 . . . . 0.0 108.782 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.687 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 54.3 Cg_endo -79.58 71.53 6.99 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.748 1.394 . . . . 0.0 111.108 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.543 ' OE1' HD22 ' A' ' 153' ' ' LEU . 7.4 tt0 -75.06 -15.29 60.63 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.304 -0.872 . . . . 0.0 109.308 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.59 -31.32 69.35 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.289 -0.882 . . . . 0.0 108.793 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 2.4 tp10 -93.29 24.14 4.04 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.488 -0.758 . . . . 0.0 109.352 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 26.6 m-85 . . . . . 0 CA--C 1.543 0.677 0 O-C-N 121.181 -0.95 . . . . 0.0 109.59 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.498 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 38.2 p . . . . . 0 C--O 1.209 -1.055 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.595 HG23 HD23 ' A' ' 95' ' ' LEU . 76.9 mt -47.78 -48.39 60.68 Favored Pre-proline 0 C--O 1.216 -0.684 0 O-C-N 121.364 -0.835 . . . . 0.0 111.22 -178.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -65.24 -35.52 40.59 Favored 'Trans proline' 0 C--N 1.353 0.801 0 O-C-N 123.247 1.13 . . . . 0.0 110.696 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.765 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.9 t -69.96 -38.57 75.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.617 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 86.1 mt -69.26 -29.85 67.84 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -67.48 -45.33 76.21 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.458 -0.776 . . . . 0.0 109.122 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.667 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.1 tm-20 -74.45 -29.8 61.61 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.193 -0.942 . . . . 0.0 109.73 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -66.4 -45.93 78.31 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.277 -0.889 . . . . 0.0 109.159 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.69 HG23 HD22 ' A' ' 88' ' ' LEU . 26.9 mt -71.01 -24.22 24.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 121.616 -0.677 . . . . 0.0 109.325 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -72.87 -35.14 67.11 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.08 -39.28 75.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.715 -0.616 . . . . 0.0 109.461 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 67' ' ' PHE . 73.5 mt -71.67 -34.34 51.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' HA ' HD13 ' A' ' 88' ' ' LEU . 46.1 t80 -59.71 -44.07 93.85 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.464 -0.773 . . . . 0.0 109.581 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.675 ' O ' HG23 ' A' ' 69' ' ' THR . 20.2 t-20 -79.71 -38.89 32.42 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.586 -0.697 . . . . 0.0 109.94 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 130' ' ' LEU . 38.1 tp -57.43 -32.33 66.79 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.469 -0.769 . . . . 0.0 109.803 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 63' ' ' ILE . 25.4 m-85 -96.23 -29.62 13.92 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 109.806 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.2 t -68.39 -20.81 64.7 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.357 -0.839 . . . . 0.0 110.259 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 65' ' ' ASN . 24.3 p -55.31 149.95 12.11 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.934 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 48.0 mmtm -64.31 -21.9 66.77 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.56 -0.713 . . . . 0.0 110.241 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 0.8 OUTLIER -76.2 -37.66 57.5 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.685 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.471 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 29.5 t -82.08 -30.7 31.14 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.217 -0.927 . . . . 0.0 109.838 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 98.6 p -66.45 -37.74 85.81 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.523 -0.736 . . . . 0.0 109.241 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -20.48 43.96 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.56 -32.97 62.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.566 ' CE3' ' HD2' ' A' ' 23' ' ' LYS . 80.5 m95 -117.82 174.34 6.24 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.562 -0.711 . . . . 0.0 109.929 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.404 ' HB2' HD12 ' A' ' 80' ' ' LEU . 2.9 m-20 -69.34 133.76 48.24 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -65.56 -29.09 69.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.475 -0.765 . . . . 0.0 110.522 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.9 m -78.43 -42.46 29.98 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.493 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 96.4 mt -64.74 -37.48 87.75 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.23 -33.21 69.67 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.65 -49.15 75.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.93 -33.61 76.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.992 ' HA ' HD13 ' A' ' 17' ' ' LEU . 7.6 t80 -66.44 -30.71 71.13 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.725 -0.609 . . . . 0.0 109.68 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -74.89 -41.47 59.7 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.196 -0.94 . . . . 0.0 109.25 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.7 m -65.8 -38.47 89.06 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.621 -0.674 . . . . 0.0 109.516 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.84 ' HG3' HD11 ' A' ' 17' ' ' LEU . 63.2 mm-40 -74.46 -30.5 61.89 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.454 -0.778 . . . . 0.0 109.682 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.69 HD22 HG23 ' A' ' 60' ' ' ILE . 48.4 mt -69.92 -35.33 74.48 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CE2' ' CZ ' ' A' ' 64' ' ' PHE . 2.2 m-85 -72.27 -38.17 68.87 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.7 -0.625 . . . . 0.0 109.919 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -71.65 -39.56 70.26 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.317 -0.865 . . . . 0.0 109.683 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.594 ' HB3' HD13 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -65.92 -36.22 82.78 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.23 -50.6 67.37 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -54.87 -43.27 73.0 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.941 -0.474 . . . . 0.0 109.929 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.41 -46.97 86.16 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.35 -0.844 . . . . 0.0 108.781 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.595 HD23 HG23 ' A' ' 53' ' ' ILE . 56.9 mt . . . . . 0 C--O 1.217 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 109.977 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 2.8 p30 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.616 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 32.6 t -69.42 -41.72 75.97 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.765 HG12 ' HA ' ' A' ' 55' ' ' VAL . 78.2 mt -68.67 -37.73 77.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 117' ' ' LEU . 43.4 mt -63.7 -34.17 77.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.76 -0.588 . . . . 0.0 109.487 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.687 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.91 -44.73 84.33 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.75 -25.6 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -71.33 -44.52 64.93 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.152 -0.967 . . . . 0.0 109.768 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -71.64 -26.44 62.55 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.373 -0.829 . . . . 0.0 109.233 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.72 ' CE2' HD11 ' A' ' 126' ' ' ILE . 80.7 t80 -68.13 -52.03 39.48 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.434 -0.791 . . . . 0.0 109.038 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.417 ' HA ' HD12 ' A' ' 126' ' ' ILE . 16.2 m-85 -67.49 -27.36 66.94 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.746 -0.596 . . . . 0.0 109.929 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.74 -42.02 99.46 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -66.6 -37.16 84.31 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.72 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.6 mt -63.08 -37.54 79.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.62 -0.675 . . . . 0.0 109.522 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -67.33 -41.62 84.95 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.395 -0.816 . . . . 0.0 109.667 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -69.33 -33.89 73.82 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.299 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.546 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 20.6 t80 -65.0 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.498 -0.751 . . . . 0.0 109.328 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 50.1 mt -68.01 -39.25 83.2 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.692 -0.63 . . . . 0.0 109.506 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.8 -25.37 61.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.099 -1.0 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.2 -47.6 49.41 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.298 -0.876 . . . . 0.0 109.124 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -81.9 2.86 28.52 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.88 -0.513 . . . . 0.0 109.83 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 61.86 36.48 15.94 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.504 -0.748 . . . . 0.0 110.034 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 64.8 m-85 58.28 49.19 11.44 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.632 -0.667 . . . . 0.0 110.181 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.454 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 25.4 m -78.16 161.63 69.87 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.295 -0.878 . . . . 0.0 109.497 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.2 Cg_endo -69.19 -34.27 16.86 Favored 'Trans proline' 0 C--N 1.352 0.718 0 O-C-N 123.773 1.407 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.41 -39.26 68.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.417 -0.802 . . . . 0.0 109.078 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.428 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.6 -40.02 94.77 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.471 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 24.1 m95 -67.89 -31.56 71.45 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.632 -0.667 . . . . 0.0 109.76 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -65.86 -39.97 91.23 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.332 -0.855 . . . . 0.0 108.898 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.762 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.7 t -67.34 -41.37 86.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 139' ' ' ALA . 66.1 t -70.86 -23.27 23.65 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 121.623 -0.673 . . . . 0.0 109.509 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.442 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 27.6 ttp85 -72.69 -46.71 52.37 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.542 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.05 75.23 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.79 -37.58 70.41 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.617 -0.677 . . . . 0.0 109.686 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -68.83 -38.03 78.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 O-C-N 121.311 -0.868 . . . . 0.0 108.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 31.9 ttm -64.06 -49.91 70.46 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.608 -0.683 . . . . 0.0 109.832 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -33.22 74.41 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.771 -0.581 . . . . 0.0 111.06 -178.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.9 m -72.48 -49.31 33.99 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.164 -0.96 . . . . 0.0 109.329 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.625 ' HB3' HD21 ' A' ' 15' ' ' LEU . 40.9 t80 -65.87 -31.53 72.53 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.589 -0.694 . . . . 0.0 109.483 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 39.0 m -71.81 -40.96 68.81 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.543 HD22 ' OE1' ' A' ' 40' ' ' GLN . 20.7 mt -61.17 -43.36 99.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 121.215 0.531 . . . . 0.0 109.94 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.617 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.7 m -65.74 -37.72 87.17 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.703 -0.623 . . . . 0.0 110.082 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.769 HG21 ' HB3' ' A' ' 11' ' ' SER . 66.8 p -92.13 1.82 56.97 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.439 -0.788 . . . . 0.0 110.272 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 152' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.211 -0.942 0 O-C-N 121.258 -0.901 . . . . 0.0 111.099 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 155' ' ' THR . 35.0 p . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 120.833 0.349 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -63.9 -36.78 85.06 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.409 -0.807 . . . . 0.0 109.367 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -67.78 -35.35 78.51 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.561 -0.712 . . . . 0.0 109.284 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.5 m -62.24 -44.39 96.67 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.581 -0.7 . . . . 0.0 109.204 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 151' ' ' PHE . 95.7 mt -68.45 -32.93 73.3 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.583 -0.698 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.6 ttp -64.89 -38.32 90.57 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.302 -0.874 . . . . 0.0 108.876 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 84' ' ' PHE . 79.9 mt -63.33 -40.84 98.42 Favored 'General case' 0 C--O 1.212 -0.868 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 15' ' ' LEU . 48.6 mt -61.18 -36.25 79.33 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.758 -0.589 . . . . 0.0 109.626 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.02 90.97 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.5 -0.75 . . . . 0.0 109.572 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -71.09 -30.33 66.41 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.293 -0.879 . . . . 0.0 109.601 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.466 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 34.9 mtp -68.23 -27.28 66.22 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.534 -0.729 . . . . 0.0 110.041 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -49.22 126.4 12.75 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.455 -0.778 . . . . 0.0 109.519 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 76' ' ' TRP . 17.3 mtpt -112.64 -27.13 8.31 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.794 -0.566 . . . . 0.0 109.676 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.801 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pt -128.73 170.34 18.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 O-C-N 121.447 -0.783 . . . . 0.0 109.952 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m -84.09 137.64 33.46 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 30' ' ' LEU . 53.9 tp -60.74 -39.86 90.28 Favored 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.766 ' HA ' HD13 ' A' ' 30' ' ' LEU . 83.1 m-85 -60.81 -40.13 91.55 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -59.83 -30.58 69.04 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.801 ' SG ' HD12 ' A' ' 24' ' ' ILE . 63.0 m -102.53 50.6 0.82 Allowed 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.648 -0.658 . . . . 0.0 109.6 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.766 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -88.64 10.88 19.07 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.332 -0.855 . . . . 0.0 109.719 178.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -97.23 -25.38 15.3 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.299 -0.876 . . . . 0.0 109.395 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.578 ' O ' HG21 ' A' ' 142' ' ' VAL . 4.2 m-20 -116.32 23.32 12.19 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.423 -0.798 . . . . 0.0 109.896 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -86.36 123.57 31.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.008 -1.057 . . . . 0.0 109.292 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -144.71 132.38 21.07 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.76 114.2 7.73 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.503 -0.748 . . . . 0.0 109.157 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.65 ' HE1' ' HB2' ' A' ' 129' ' ' TYR . 60.4 m-85 -69.38 -51.94 31.9 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.119 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.59 67.71 0.54 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 54.1 t80 -72.28 133.18 83.49 Favored Pre-proline 0 C--O 1.216 -0.664 0 O-C-N 121.633 -0.922 . . . . 0.0 109.195 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 53.5 Cg_endo -79.83 81.07 2.87 Favored 'Trans proline' 0 C--N 1.352 0.73 0 O-C-N 123.722 1.38 . . . . 0.0 110.89 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 5.4 tm0? -88.4 -17.91 29.48 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.242 -0.911 . . . . 0.0 109.49 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.66 -32.39 69.05 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -94.22 26.74 3.17 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.351 -0.843 . . . . 0.0 109.271 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 8.1 m-85 . . . . . 0 C--O 1.211 -0.922 0 O-C-N 121.275 -0.89 . . . . 0.0 109.772 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.512 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.9 p . . . . . 0 C--O 1.208 -1.127 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.771 HG23 HD23 ' A' ' 95' ' ' LEU . 37.6 mt -54.36 -41.98 91.82 Favored Pre-proline 0 C--O 1.214 -0.787 0 O-C-N 120.933 -1.104 . . . . 0.0 110.685 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.2 Cg_endo -68.9 -37.25 11.72 Favored 'Trans proline' 0 C--N 1.356 0.958 0 O-C-N 123.06 1.032 . . . . 0.0 110.301 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.798 ' HA ' HG12 ' A' ' 116' ' ' ILE . 41.3 t -68.77 -47.14 77.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.617 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 67.3 mt -60.24 -35.05 74.6 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' HD23 ' A' ' 92' ' ' LEU . 60.5 t-80 -60.53 -47.97 83.84 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.64 -0.663 . . . . 0.0 109.393 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.613 ' HG2' ' CG2' ' A' ' 116' ' ' ILE . 5.4 tp10 -69.35 -30.66 68.73 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.268 -0.895 . . . . 0.0 109.486 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 ttm -64.5 -39.9 94.64 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.369 -0.832 . . . . 0.0 108.899 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.648 HG21 ' HG ' ' A' ' 92' ' ' LEU . 9.6 mm -65.68 -36.15 76.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.36 -33.88 71.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.505 -0.747 . . . . 0.0 109.619 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.39 -40.28 74.04 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.351 -0.843 . . . . 0.0 109.328 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.606 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.2 mt -75.89 -25.18 17.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.696 ' HA ' HD13 ' A' ' 88' ' ' LEU . 56.6 t80 -68.94 -43.43 75.09 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 121.275 -0.891 . . . . 0.0 109.537 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.676 ' O ' HG23 ' A' ' 69' ' ' THR . 6.5 m120 -81.52 -35.1 30.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.482 -0.761 . . . . 0.0 109.645 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 130' ' ' LEU . 49.2 tp -60.3 -32.43 71.2 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.485 -0.759 . . . . 0.0 109.355 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.606 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.9 m-85 -96.76 -27.58 14.67 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.527 -0.733 . . . . 0.0 110.017 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.7 t -70.0 -22.95 63.07 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.296 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 65' ' ' ASN . 25.3 p -53.47 147.63 10.5 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.315 -0.866 . . . . 0.0 109.922 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -60.55 -23.54 64.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.564 -0.71 . . . . 0.0 109.99 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 46.0 m-20 -72.52 -43.79 63.08 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 109.456 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.515 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 9.5 t -79.8 -30.37 40.56 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.351 -0.843 . . . . 0.0 109.616 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.565 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 32.7 t -65.35 -37.19 86.29 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.585 -0.697 . . . . 0.0 109.285 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -24.26 32.09 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.08 67.83 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 23' ' ' LYS . 73.7 m95 -121.21 170.62 9.4 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.525 -0.735 . . . . 0.0 109.931 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -65.63 133.15 50.54 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.63 -28.98 69.98 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.5 -0.75 . . . . 0.0 110.508 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -78.24 -43.78 27.37 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.048 -1.033 . . . . 0.0 109.063 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 80' ' ' LEU . 61.2 mt -62.87 -36.66 84.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.565 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.94 -34.04 68.71 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.21 -50.92 69.88 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.22 -35.49 81.22 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.865 ' HA ' HD13 ' A' ' 17' ' ' LEU . 26.0 t80 -61.57 -31.67 71.72 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.664 -0.647 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -76.21 -32.99 59.26 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.5 m -69.35 -36.02 76.46 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.535 -0.728 . . . . 0.0 109.493 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' OE1' HD11 ' A' ' 17' ' ' LEU . 1.2 mp0 -76.91 -28.1 55.16 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.323 -0.861 . . . . 0.0 109.368 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 64' ' ' PHE . 65.1 mt -73.09 -40.11 65.28 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.454 -0.779 . . . . 0.0 109.296 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.82 -32.97 52.55 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 179.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.29 -46.01 74.87 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 5.9 tp-100 -68.18 -26.56 65.81 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.648 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.8 mt -72.7 -35.52 67.65 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.354 -0.841 . . . . 0.0 109.848 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -75.64 -39.97 56.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.256 -0.903 . . . . 0.0 109.0 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -66.04 -39.18 89.94 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.771 HD23 HG23 ' A' ' 53' ' ' ILE . 43.5 mt . . . . . 0 C--O 1.216 -0.676 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--O 1.215 -0.73 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.511 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 32.6 t -64.1 -41.22 97.35 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.798 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.9 mt -66.8 -36.62 77.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.56 HD23 ' HD2' ' A' ' 120' ' ' ARG . 28.0 mt -62.55 -35.37 79.23 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.85 -0.531 . . . . 0.0 109.629 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -66.75 -43.31 84.49 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 82.2 t -67.74 -27.91 39.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 O-C-N 121.669 -0.644 . . . . 0.0 109.547 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.56 ' HD2' HD23 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.31 -37.24 77.66 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.011 -1.056 . . . . 0.0 109.198 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -72.36 -32.99 66.93 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.359 -0.838 . . . . 0.0 108.935 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.771 ' CE2' HD11 ' A' ' 126' ' ' ILE . 72.0 t80 -64.25 -50.07 69.41 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.584 -0.698 . . . . 0.0 109.275 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -69.04 -26.6 65.06 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.743 -0.598 . . . . 0.0 110.534 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.24 95.27 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 2.8 tpt85 -65.99 -39.04 89.98 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.771 HD11 ' CE2' ' A' ' 122' ' ' TYR . 66.6 mt -61.05 -37.18 76.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 O-C-N 121.551 -0.718 . . . . 0.0 109.369 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.1 m -68.55 -38.41 80.76 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.543 -0.723 . . . . 0.0 109.7 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.3 tt -67.66 -38.24 83.52 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.346 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.65 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.5 t80 -62.77 -37.44 86.67 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.555 -0.716 . . . . 0.0 109.291 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 66' ' ' LEU . 60.7 mt -67.14 -41.52 85.94 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.31 -24.79 63.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.874 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -47.8 45.25 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.345 -0.847 . . . . 0.0 109.408 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.57 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.3 mptt -83.41 4.48 27.35 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 58.84 39.54 23.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.418 -0.801 . . . . 0.0 109.669 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.9 m-85 60.6 52.8 4.35 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.541 -0.724 . . . . 0.0 109.586 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.452 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 37.2 t -78.48 151.4 77.56 Favored Pre-proline 0 C--O 1.215 -0.737 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.452 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.3 Cg_endo -63.49 -31.5 71.54 Favored 'Trans proline' 0 C--N 1.353 0.798 0 O-C-N 123.648 1.341 . . . . 0.0 111.052 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.88 -40.69 54.04 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.264 -0.898 . . . . 0.0 108.863 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.57 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.55 -36.25 82.04 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.515 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 19.9 m95 -71.28 -34.99 71.16 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.633 -0.667 . . . . 0.0 109.5 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.82 -37.12 86.55 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.1 t -68.53 -42.95 83.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 147' ' ' ILE . 96.1 t -69.99 -22.76 24.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 121.767 -0.583 . . . . 0.0 109.596 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.416 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 30.0 ttp85 -71.28 -47.81 54.67 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 120.993 -1.067 . . . . 0.0 108.717 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.01 72.67 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.57 -33.76 66.99 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.603 -0.685 . . . . 0.0 109.749 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 143' ' ' VAL . 12.0 mm -72.1 -37.88 61.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.552 ' HE2' ' HB2' ' A' ' 18' ' ' LEU . 36.5 ttm -65.02 -34.72 79.12 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' A' ' 149' ' ' ARG . 20.7 tpp180 -70.84 -57.5 4.55 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 121.776 -0.577 . . . . 0.0 109.976 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.518 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 19.9 p -57.86 -38.69 76.16 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.958 -0.464 . . . . 0.0 109.994 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.855 ' HB3' HD21 ' A' ' 15' ' ' LEU . 35.7 t80 -71.52 -39.38 70.79 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.411 -0.806 . . . . 0.0 109.575 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.591 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 21.8 t -68.48 -28.81 67.36 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 121.624 -0.672 . . . . 0.0 109.385 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.526 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 38.4 mt -71.97 -45.86 59.5 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.643 -0.661 . . . . 0.0 109.372 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.617 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.1 m -66.5 -40.09 89.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.798 -0.564 . . . . 0.0 110.272 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.521 HG21 ' CE2' ' A' ' 151' ' ' PHE . 74.6 p -86.65 -10.09 54.57 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.525 -0.734 . . . . 0.0 110.98 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.7 t-20 . . . . . 0 C--O 1.212 -0.879 0 O-C-N 120.866 -1.146 . . . . 0.0 109.32 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 155' ' ' THR . 45.5 p . . . . . 0 C--O 1.216 -0.694 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -69.62 -38.14 77.12 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.614 -0.679 . . . . 0.0 109.462 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.589 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 15.8 ttt85 -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.394 -0.816 . . . . 0.0 109.469 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.9 m -68.75 -40.0 80.02 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.062 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD21 ' HB3' ' A' ' 151' ' ' PHE . 31.3 mt -70.65 -40.99 72.7 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.777 -0.577 . . . . 0.0 110.178 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.589 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.5 ptm -63.78 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.109 -0.994 . . . . 0.0 109.074 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.908 HD13 ' HA ' ' A' ' 84' ' ' PHE . 65.6 mt -63.27 -46.38 87.08 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -57.46 -34.89 69.48 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.782 -0.574 . . . . 0.0 109.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.54 72.98 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.473 -0.767 . . . . 0.0 109.686 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.31 -33.41 75.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.431 -0.793 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.419 ' HG3' ' HB3' ' A' ' 80' ' ' LEU . 7.7 mtp -67.03 -29.98 69.94 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.405 -0.809 . . . . 0.0 109.747 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -52.2 109.93 0.43 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.609 -0.682 . . . . 0.0 109.694 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -98.69 -35.6 10.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.57 -0.706 . . . . 0.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.2 pt -106.1 172.44 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 O-C-N 121.602 -0.686 . . . . 0.0 109.347 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.0 147.86 24.08 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.56 -32.92 74.78 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.24 -39.41 86.17 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -64.04 -27.28 69.0 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.528 -0.732 . . . . 0.0 109.15 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.866 ' SG ' HD12 ' A' ' 24' ' ' ILE . 20.1 m -113.76 54.34 0.75 Allowed 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.564 -0.71 . . . . 0.0 110.123 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.7 mt -84.03 3.02 36.38 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 120.909 -1.119 . . . . 0.0 110.075 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -80.28 -28.47 38.32 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 109.125 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.797 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.6 m-20 -105.29 16.0 26.39 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.699 -0.626 . . . . 0.0 110.111 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 109.01 2.06 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.566 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -148.44 124.1 10.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.696 -0.628 . . . . 0.0 109.383 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -81.6 127.68 33.13 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.476 -0.765 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.636 ' CD2' HG12 ' A' ' 126' ' ' ILE . 20.6 m-30 -82.58 -49.58 9.71 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.47 -0.768 . . . . 0.0 109.376 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.84 71.7 0.45 Allowed Glycine 0 CA--C 1.535 1.295 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.2 t80 -65.7 130.17 94.48 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.499 -1.001 . . . . 0.0 109.035 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.2 Cg_endo -75.7 73.4 4.72 Favored 'Trans proline' 0 C--N 1.352 0.762 0 O-C-N 123.775 1.408 . . . . 0.0 110.954 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.655 ' CD ' HD22 ' A' ' 153' ' ' LEU . 4.4 tt0 -79.69 -18.94 50.12 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.348 -0.845 . . . . 0.0 109.402 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.97 -29.06 66.9 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.02 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.2 tp10 -93.84 20.11 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.474 -0.766 . . . . 0.0 109.326 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.578 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 28.6 m-85 . . . . . 0 C--O 1.215 -0.742 0 O-C-N 121.355 -0.841 . . . . 0.0 109.692 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.635 HG22 ' HB ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.212 -0.914 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.807 HG23 HD23 ' A' ' 95' ' ' LEU . 70.6 mt -49.69 -46.71 79.82 Favored Pre-proline 0 C--O 1.212 -0.901 0 O-C-N 121.425 -0.797 . . . . 0.0 111.814 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.06 -35.86 40.42 Favored 'Trans proline' 0 C--N 1.354 0.834 0 O-C-N 123.141 1.074 . . . . 0.0 110.788 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HB ' HG22 ' A' ' 52' ' ' THR . 8.0 t -68.98 -39.99 80.41 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.566 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 39.1 mt -65.78 -35.64 81.28 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CD2' HD23 ' A' ' 92' ' ' LEU . 59.7 t-80 -60.04 -48.84 80.03 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.637 -0.664 . . . . 0.0 109.329 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.912 ' HG3' HD13 ' A' ' 116' ' ' ILE . 10.8 mm-40 -70.79 -24.2 62.53 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 119.344 -0.942 . . . . 0.0 109.321 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.2 -36.77 80.07 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.678 HG21 ' O ' ' A' ' 88' ' ' LEU . 12.6 mm -75.74 -28.01 19.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 O-C-N 121.411 -0.805 . . . . 0.0 109.241 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.79 -36.78 67.67 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.256 -0.902 . . . . 0.0 108.9 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.585 HE22 HG12 ' A' ' 119' ' ' VAL . 24.4 mt-30 -74.18 -38.92 63.52 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.497 -0.752 . . . . 0.0 110.256 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.9 mt -72.84 -36.02 51.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 121.181 -0.95 . . . . 0.0 108.518 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.688 ' HA ' HD13 ' A' ' 88' ' ' LEU . 41.7 t80 -59.84 -42.81 94.41 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.498 -0.751 . . . . 0.0 109.798 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.653 ' O ' HG23 ' A' ' 69' ' ' THR . 20.3 t-20 -80.19 -39.36 29.37 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.468 -0.77 . . . . 0.0 110.117 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 130' ' ' LEU . 29.8 tp -58.64 -32.04 68.69 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.33 -0.857 . . . . 0.0 109.487 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.9 m-85 -93.82 -31.95 14.16 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.455 -0.778 . . . . 0.0 109.753 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 25.0 t -65.61 -25.31 67.33 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 65' ' ' ASN . 40.5 p -54.19 146.02 16.07 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.213 -0.929 . . . . 0.0 109.544 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.11 -22.27 65.68 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.469 -0.77 . . . . 0.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 52.3 m-20 -68.92 -45.71 70.14 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 22.5 t -77.95 -29.95 50.12 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.577 -0.702 . . . . 0.0 109.475 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.558 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.7 m -65.48 -36.55 84.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.505 -0.747 . . . . 0.0 109.388 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.49 -26.44 30.22 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.23 72.4 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.588 -0.695 . . . . 0.0 109.967 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.48 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 73.8 m95 -118.84 178.15 4.59 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.589 -0.694 . . . . 0.0 109.529 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.84 135.9 43.44 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -66.25 -29.88 70.2 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.448 -0.782 . . . . 0.0 110.565 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -77.54 -45.56 25.03 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.164 -0.96 . . . . 0.0 108.9 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 96.6 mt -62.65 -35.89 81.08 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.9 mt -72.58 -33.67 66.9 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.41 -51.66 67.53 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.09 -35.36 80.51 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.908 ' HA ' HD13 ' A' ' 17' ' ' LEU . 45.5 t80 -62.1 -35.81 79.84 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.669 -0.645 . . . . 0.0 109.761 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.446 ' HA ' HD12 ' A' ' 88' ' ' LEU . 21.6 m-85 -72.62 -37.07 68.17 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.228 -0.92 . . . . 0.0 109.336 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.3 m -64.93 -42.6 94.52 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.568 -0.708 . . . . 0.0 109.562 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.53 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 58.3 mm-40 -68.65 -30.76 69.54 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.37 -0.831 . . . . 0.0 109.366 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' ' 64' ' ' PHE . 36.0 mt -66.89 -45.59 77.56 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.603 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.4 t80 -73.88 -31.69 63.26 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -66.39 -46.85 75.26 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.144 -0.972 . . . . 0.0 108.727 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.44 -30.5 71.53 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.51 ' HG ' HG21 ' A' ' 60' ' ' ILE . 11.2 mt -69.51 -33.75 73.28 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.773 -0.579 . . . . 0.0 109.86 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -69.44 -44.17 71.84 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.276 -0.89 . . . . 0.0 109.313 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.46 -42.51 87.47 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.604 -0.685 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.807 HD23 HG23 ' A' ' 53' ' ' ILE . 81.1 mt . . . . . 0 C--O 1.216 -0.667 0 O-C-N 121.802 -0.561 . . . . 0.0 109.755 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.622 ' HB3' HG11 ' A' ' 55' ' ' VAL . 68.9 m -69.32 -48.27 62.01 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.912 HD13 ' HG3' ' A' ' 58' ' ' GLU . 80.2 mt -68.61 -31.89 52.89 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 O-C-N 121.56 -0.712 . . . . 0.0 109.282 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 117' ' ' LEU . 21.1 mt -68.97 -34.77 75.87 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.599 -0.688 . . . . 0.0 109.305 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.48 -44.35 78.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.585 HG12 HE22 ' A' ' 62' ' ' GLN . 45.9 t -67.44 -26.02 34.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -70.96 -43.94 67.09 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.246 -0.909 . . . . 0.0 109.661 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.63 -30.28 67.97 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.406 -0.809 . . . . 0.0 108.918 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 88.8 t80 -65.59 -51.16 61.79 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.65 -28.15 66.63 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.762 -0.587 . . . . 0.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -64.77 -40.5 95.37 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 tpt85 -66.62 -33.58 75.98 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.636 HG12 ' CD2' ' A' ' 36' ' ' PHE . 40.9 mt -67.93 -36.86 77.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 121.523 -0.736 . . . . 0.0 109.178 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.3 m -65.4 -43.64 89.98 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.459 -0.776 . . . . 0.0 109.354 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 128' ' ' LEU . 31.6 mt -72.12 -31.63 66.2 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.496 -0.753 . . . . 0.0 109.718 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -63.6 -43.66 96.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' A' ' 140' ' ' TRP . 36.7 mt -65.49 -44.22 87.75 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -67.57 -29.12 68.4 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.394 -0.816 . . . . 0.0 109.847 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.51 -46.24 67.01 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.482 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.562 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.3 mptt -83.83 5.04 26.57 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.708 -0.62 . . . . 0.0 109.856 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp 60.73 38.82 18.03 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.515 -0.74 . . . . 0.0 110.171 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 44.0 m-85 57.78 50.15 11.09 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.569 -0.707 . . . . 0.0 109.862 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.401 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 33.5 t -76.9 149.73 80.56 Favored Pre-proline 0 C--O 1.216 -0.703 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.502 ' O ' HD11 ' A' ' 24' ' ' ILE . 37.0 Cg_endo -64.99 -32.45 53.95 Favored 'Trans proline' 0 C--N 1.353 0.772 0 O-C-N 123.628 1.331 . . . . 0.0 110.603 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.0 m -70.99 -40.82 71.66 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.52 94.94 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.558 ' CE2' HD22 ' A' ' 130' ' ' LEU . 21.2 m95 -64.44 -34.52 78.39 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 121.684 -0.635 . . . . 0.0 109.821 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.41 -43.28 97.96 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.274 -0.891 . . . . 0.0 108.985 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.797 HG21 ' O ' ' A' ' 32' ' ' ASP . 51.0 t -62.59 -42.15 94.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 121.788 -0.57 . . . . 0.0 109.551 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 147' ' ' ILE . 60.4 t -73.55 -25.31 20.81 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.939 0 O-C-N 121.584 -0.698 . . . . 0.0 110.313 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.652 ' HG3' ' N ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -68.97 -49.38 58.44 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.024 -1.047 . . . . 0.0 108.416 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.652 ' N ' ' HG3' ' A' ' 144' ' ' ARG . . . -63.22 -37.24 86.44 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 142' ' ' VAL . 48.7 mt-10 -68.98 -31.71 70.76 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.802 -0.561 . . . . 0.0 110.094 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.1 mm -76.39 -30.79 19.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 121.308 -0.87 . . . . 0.0 109.289 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 32.8 ttm -73.89 -36.72 64.81 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -73.22 -42.54 62.49 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.554 -0.716 . . . . 0.0 109.322 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 73.7 m -66.2 -35.74 81.23 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.607 -0.683 . . . . 0.0 109.545 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.878 ' HB3' HD21 ' A' ' 15' ' ' LEU . 20.6 t80 -72.69 -42.72 63.92 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.45 -0.781 . . . . 0.0 109.39 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 76.0 p -64.96 -33.35 75.83 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.655 HD22 ' CD ' ' A' ' 40' ' ' GLN . 70.5 mt -69.12 -42.5 75.99 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.668 -0.645 . . . . 0.0 109.496 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.566 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 16.8 p -64.67 -35.18 80.2 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.699 -0.626 . . . . 0.0 110.023 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.702 HG21 ' CE1' ' A' ' 151' ' ' PHE . 25.4 p -100.34 1.42 41.52 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.759 -0.588 . . . . 0.0 110.909 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 152' ' ' SER . 13.9 t-20 . . . . . 0 CA--C 1.543 0.711 0 O-C-N 121.101 -0.999 . . . . 0.0 109.722 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.524 ' HB2' HG21 ' A' ' 155' ' ' THR . 72.6 p . . . . . 0 C--O 1.217 -0.641 0 CA-C-O 120.901 0.382 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -65.91 -38.63 89.19 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -71.54 -37.89 71.09 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.343 -0.848 . . . . 0.0 109.476 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -61.76 -46.07 91.19 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.447 -0.783 . . . . 0.0 109.276 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 151' ' ' PHE . 85.2 mt -70.4 -31.97 69.4 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.615 -0.678 . . . . 0.0 109.654 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.6 ttp -63.87 -37.3 86.88 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.254 -0.903 . . . . 0.0 108.652 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.856 HD13 ' HA ' ' A' ' 84' ' ' PHE . 94.7 mt -63.63 -43.37 96.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 15' ' ' LEU . 54.5 mt -58.15 -40.37 81.18 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.83 -0.544 . . . . 0.0 109.576 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.76 96.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.668 -0.645 . . . . 0.0 109.793 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.47 -30.17 69.8 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 18' ' ' LEU . 26.5 mtp -68.23 -28.04 66.89 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB2' ' NH1' ' A' ' 144' ' ' ARG . 37.5 ttm180 -56.27 115.28 2.38 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.356 -0.84 . . . . 0.0 109.668 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -100.9 -35.98 9.21 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.373 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.725 HD12 ' SG ' ' A' ' 29' ' ' CYS . 6.4 pt -104.5 170.39 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.461 -0.775 . . . . 0.0 109.867 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -89.96 134.38 34.26 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 30' ' ' LEU . 58.9 tp -58.74 -40.07 82.78 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.784 ' HA ' HD13 ' A' ' 30' ' ' LEU . 93.6 m-85 -58.67 -41.73 86.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -57.94 -31.95 67.33 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' A' ' 24' ' ' ILE . 80.1 m -101.34 50.68 0.85 Allowed 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.784 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -89.88 0.18 57.2 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -93.32 -25.18 17.85 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 109.09 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.689 ' O ' HG21 ' A' ' 142' ' ' VAL . 12.1 t70 -104.49 18.39 22.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.53 -0.731 . . . . 0.0 109.57 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -73.33 119.24 17.29 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.165 -0.959 . . . . 0.0 109.513 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.13 129.6 13.9 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.69 145.01 36.87 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.207 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.516 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 24.2 m-85 -94.97 -39.9 9.95 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.442 -0.786 . . . . 0.0 109.843 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.46 60.01 0.46 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.5 t80 -66.07 132.57 94.61 Favored Pre-proline 0 C--O 1.217 -0.641 0 O-C-N 121.637 -0.92 . . . . 0.0 109.053 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.61 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.3 Cg_endo -78.64 62.58 8.33 Favored 'Trans proline' 0 C--N 1.352 0.741 0 O-C-N 123.829 1.437 . . . . 0.0 111.376 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 4.2 tp60 -75.33 -26.8 58.91 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.14 -31.97 63.82 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -97.78 44.96 1.03 Allowed 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 1.7 m-85 . . . . . 0 C--O 1.213 -0.852 0 O-C-N 121.535 -0.728 . . . . 0.0 109.352 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.404 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 25.5 p . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.71 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 84.9 mt -64.19 -37.58 27.26 Favored Pre-proline 0 C--O 1.216 -0.702 0 O-C-N 121.488 -0.757 . . . . 0.0 109.819 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.71 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -64.85 -25.11 60.48 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.049 1.026 . . . . 0.0 110.178 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.773 ' HA ' HG12 ' A' ' 116' ' ' ILE . 13.5 t -71.07 -38.67 72.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 37.7 mt -68.93 -33.87 74.43 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.508 ' CE1' HD22 ' A' ' 92' ' ' LEU . 64.3 t-80 -65.35 -48.01 74.47 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.837 ' HG3' HD13 ' A' ' 116' ' ' ILE . 74.4 mm-40 -72.74 -27.18 61.88 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 ttt -66.53 -48.45 69.69 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.746 HG23 HD22 ' A' ' 88' ' ' LEU . 30.6 mt -69.18 -21.85 25.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -73.76 -35.67 65.02 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.73 -35.79 70.28 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.59 -0.693 . . . . 0.0 109.162 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.605 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.5 mt -74.88 -29.68 22.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.532 ' HA ' HD13 ' A' ' 88' ' ' LEU . 37.1 t80 -63.58 -46.72 84.58 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.333 -0.855 . . . . 0.0 109.431 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 69' ' ' THR . 19.8 t-20 -78.3 -37.94 43.6 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.627 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 130' ' ' LEU . 36.8 tp -57.56 -33.42 68.12 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.444 -0.785 . . . . 0.0 109.399 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 63' ' ' ILE . 17.4 m-85 -95.3 -24.73 16.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.667 -0.646 . . . . 0.0 110.015 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -79.08 -14.76 58.95 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.336 -0.852 . . . . 0.0 110.381 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 65' ' ' ASN . 22.6 p -55.6 151.76 10.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.18 -0.95 . . . . 0.0 110.044 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -62.25 -22.23 65.82 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.588 -0.695 . . . . 0.0 109.751 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 43.7 m-20 -78.61 -40.91 33.09 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.357 -0.84 . . . . 0.0 109.688 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.503 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 21.9 t -79.46 -32.83 42.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 110.141 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.463 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 72.3 m -62.63 -35.93 81.18 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.52 -0.738 . . . . 0.0 109.124 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.38 -26.31 30.57 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -67.24 -31.57 72.01 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.544 -0.723 . . . . 0.0 110.333 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -120.16 175.08 6.11 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.479 -0.763 . . . . 0.0 109.631 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.73 133.82 46.92 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.9 -28.27 69.42 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.415 -0.803 . . . . 0.0 110.418 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.7 m -78.18 -44.81 24.82 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 108.84 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.0 -37.58 87.74 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 81' ' ' LEU . 10.1 mt -71.96 -33.03 67.85 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.2 -50.89 69.96 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -63.87 -35.04 79.35 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.856 ' HA ' HD13 ' A' ' 17' ' ' LEU . 21.2 t80 -64.98 -32.06 73.6 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.805 -0.559 . . . . 0.0 109.877 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.56 -38.59 65.16 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.062 -1.024 . . . . 0.0 109.207 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.682 HG22 HE21 ' A' ' 90' ' ' GLN . 34.4 m -69.23 -36.47 77.25 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 109.682 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -73.2 -36.07 66.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.302 -0.873 . . . . 0.0 109.157 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.836 HD11 ' CE2' ' A' ' 84' ' ' PHE . 64.3 mt -66.7 -40.37 88.45 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.488 -0.758 . . . . 0.0 109.257 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -72.68 -38.63 67.53 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.472 -0.768 . . . . 0.0 110.426 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.682 HE21 HG22 ' A' ' 86' ' ' THR . 53.2 mt-30 -66.92 -48.25 69.24 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.11 -0.994 . . . . 0.0 109.8 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.48 -26.67 68.54 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.508 HD22 ' CE1' ' A' ' 57' ' ' HIS . 14.2 mt -66.92 -50.68 61.61 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.533 -0.73 . . . . 0.0 109.223 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.34 -38.35 73.97 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.642 -0.662 . . . . 0.0 109.582 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.99 -45.73 84.38 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 56' ' ' LEU . 69.2 mt . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.144 0.497 . . . . 0.0 109.712 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 C--O 1.215 -0.726 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 p -65.8 -46.9 76.94 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.341 -0.849 . . . . 0.0 108.878 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.837 HD13 ' HG3' ' A' ' 58' ' ' GLU . 80.0 mt -64.51 -31.58 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.941 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 117' ' ' LEU . 22.6 mt -69.39 -30.39 68.36 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.697 -0.627 . . . . 0.0 109.424 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.85 -48.92 67.33 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.27 -28.28 43.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -67.37 -43.23 81.91 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.291 -0.881 . . . . 0.0 109.85 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -29.24 65.48 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.388 -0.82 . . . . 0.0 109.179 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.785 ' CE2' HD11 ' A' ' 126' ' ' ILE . 72.7 t80 -65.96 -50.98 62.41 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.567 -0.708 . . . . 0.0 109.225 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -69.06 -27.37 65.58 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.783 -0.573 . . . . 0.0 110.171 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -63.74 -42.55 97.85 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.428 ' C ' ' HD3' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -66.04 -41.79 90.4 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 122' ' ' TYR . 66.1 mt -57.59 -38.5 64.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.544 HG22 ' HE2' ' A' ' 131' ' ' LYS . 40.1 m -64.68 -42.0 95.67 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.54 -0.725 . . . . 0.0 109.552 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -65.53 -37.99 88.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.54 -0.725 . . . . 0.0 109.353 179.794 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.425 ' CG ' ' HE1' ' A' ' 36' ' ' PHE . 39.2 t80 -61.3 -39.04 88.99 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.544 -0.722 . . . . 0.0 109.347 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 66' ' ' LEU . 44.1 mt -66.03 -41.0 91.51 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.719 -0.613 . . . . 0.0 109.377 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.544 ' HE2' HG22 ' A' ' 127' ' ' THR . 61.7 mttm -70.69 -27.35 63.94 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 109.825 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.45 ' HG3' HD13 ' A' ' 128' ' ' LEU . 38.4 mt-10 -70.78 -48.69 52.95 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.366 -0.834 . . . . 0.0 109.599 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.7 mptt -82.05 3.73 25.67 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.656 -0.652 . . . . 0.0 109.711 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 61.75 35.78 16.63 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.386 -0.821 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 69.8 m-85 59.61 49.36 8.47 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.539 -0.726 . . . . 0.0 109.685 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.536 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.8 m -76.75 163.97 62.31 Favored Pre-proline 0 C--O 1.218 -0.602 0 O-C-N 121.476 -0.765 . . . . 0.0 109.286 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.2 Cg_endo -68.16 -40.03 9.44 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 O-C-N 123.78 1.411 . . . . 0.0 111.07 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -70.3 -35.41 73.67 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.489 -0.757 . . . . 0.0 109.384 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.26 -38.1 89.86 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.539 -0.726 . . . . 0.0 109.074 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 36.9 m95 -73.8 -33.32 64.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.448 -0.783 . . . . 0.0 109.702 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.421 ' HB2' HD11 ' A' ' 24' ' ' ILE . 34.8 tp10 -63.31 -41.32 98.92 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.7 t -65.3 -45.18 94.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.4 t -65.3 -24.18 34.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.459 ' NH1' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -65.11 -52.56 54.68 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.499 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.24 -32.24 73.75 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.773 -0.579 . . . . 0.0 109.807 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.55 -36.14 76.06 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 121.591 -0.693 . . . . 0.0 109.906 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 143' ' ' VAL . 30.5 mm -76.79 -34.99 23.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 121.186 -0.947 . . . . 0.0 109.484 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 29.4 ttm -66.98 -47.19 72.32 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.38 -0.825 . . . . 0.0 109.601 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 3.5 mmt180 -72.35 -40.25 67.51 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.702 -0.624 . . . . 0.0 110.575 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.423 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 74.9 m -66.58 -43.9 83.68 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.705 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.838 ' HB3' HD21 ' A' ' 15' ' ' LEU . 29.8 t80 -67.14 -36.18 81.31 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.581 -0.699 . . . . 0.0 109.371 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -71.41 -30.23 65.83 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.513 -0.742 . . . . 0.0 109.28 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 149' ' ' ARG . 48.4 mt -69.38 -46.12 67.67 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.577 -0.702 . . . . 0.0 109.331 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.563 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 18.8 m -66.71 -42.49 86.29 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.762 -0.586 . . . . 0.0 109.681 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.524 HG21 ' HB2' ' A' ' 11' ' ' SER . 81.9 p -79.24 -8.94 59.42 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.573 -0.704 . . . . 0.0 110.746 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 46.1 t30 . . . . . 0 C--O 1.217 -0.609 0 O-C-N 121.064 -1.023 . . . . 0.0 109.375 178.706 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--O 1.217 -0.656 0 CA-C-O 120.871 0.367 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -68.37 -46.51 69.87 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.286 -0.884 . . . . 0.0 110.566 -178.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.648 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 13.5 ptm180 -74.79 -28.16 60.61 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 m -73.0 -41.5 64.22 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.253 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.792 HD21 ' HB3' ' A' ' 151' ' ' PHE . 56.3 mt -70.59 -40.06 73.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.528 -0.732 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.566 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -63.58 -31.5 72.68 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.003 -1.061 . . . . 0.0 109.066 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 84' ' ' PHE . 53.9 mt -63.39 -45.15 92.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.543 HD21 ' CZ ' ' A' ' 84' ' ' PHE . 63.3 mt -58.99 -30.1 67.71 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.796 -0.565 . . . . 0.0 109.695 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.42 52.58 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.097 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -70.7 -31.97 69.03 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.291 -0.881 . . . . 0.0 110.526 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.637 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 ptp -72.34 -7.79 51.48 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.189 -0.944 . . . . 0.0 110.821 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.88 117.0 4.51 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 120.813 -1.179 . . . . 0.0 110.152 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.637 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.9 mptp? -91.27 -37.21 13.44 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.511 -0.743 . . . . 0.0 109.058 178.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.858 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.0 pt -125.81 171.02 15.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-O 121.464 0.65 . . . . 0.0 109.708 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -91.21 151.61 20.87 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.88 -27.84 69.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 109.102 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.404 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 76.5 m-85 -67.93 -36.9 80.94 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.42 -0.8 . . . . 0.0 109.363 178.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -64.62 -23.27 67.21 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.238 -0.914 . . . . 0.0 108.577 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.858 ' SG ' HD12 ' A' ' 24' ' ' ILE . 87.1 m -117.26 55.36 0.85 Allowed 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.672 -0.642 . . . . 0.0 110.282 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' A' ' 33' ' ' ARG . 35.3 mt -86.98 4.18 42.8 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.07 -1.019 . . . . 0.0 109.952 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -95.94 -23.71 16.73 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.884 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.702 ' O ' HG21 ' A' ' 142' ' ' VAL . 58.3 m-20 -115.23 28.12 8.91 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.328 -0.858 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.789 ' HD2' HD23 ' A' ' 30' ' ' LEU . 16.3 ptm180 -105.12 123.5 47.93 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.803 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -149.08 145.59 27.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.27 115.14 5.28 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 37.9 m-85 -69.56 -49.71 51.71 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.561 -0.712 . . . . 0.0 109.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.1 53.71 0.22 Allowed Glycine 0 C--O 1.217 -0.917 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 86.2 t80 -69.18 127.04 93.14 Favored Pre-proline 0 C--O 1.217 -0.648 0 O-C-N 121.492 -1.005 . . . . 0.0 108.929 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.596 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.2 Cg_endo -81.54 67.41 8.41 Favored 'Trans proline' 0 C--N 1.351 0.666 0 O-C-N 123.823 1.433 . . . . 0.0 111.531 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 153' ' ' LEU . 42.1 tp60 -73.56 -18.05 61.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.239 -0.913 . . . . 0.0 109.371 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.98 -30.88 68.28 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.261 -0.9 . . . . 0.0 109.259 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -98.97 35.91 1.79 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.404 -0.81 . . . . 0.0 109.003 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.464 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 7.0 m-85 . . . . . 0 C--O 1.216 -0.704 0 O-C-N 121.401 -0.812 . . . . 0.0 109.01 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.425 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 10.2 t . . . . . 0 C--O 1.213 -0.867 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.896 HG23 HD23 ' A' ' 95' ' ' LEU . 62.6 mt -57.21 -43.86 99.41 Favored Pre-proline 0 C--O 1.214 -0.798 0 O-C-N 121.285 -0.884 . . . . 0.0 110.84 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -64.44 -32.85 59.46 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 123.112 1.059 . . . . 0.0 110.641 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.575 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.6 t -73.7 -38.56 51.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.608 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 71.8 mt -68.42 -25.43 65.02 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.568 -0.707 . . . . 0.0 109.109 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.431 ' O ' HD21 ' A' ' 92' ' ' LEU . 59.4 t-80 -71.35 -50.79 28.69 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.328 -0.857 . . . . 0.0 109.407 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.654 ' HB3' HG23 ' A' ' 116' ' ' ILE . 15.8 tp10 -73.14 -27.91 61.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.119 -0.988 . . . . 0.0 109.881 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.404 ' HG3' HG11 ' A' ' 119' ' ' VAL . 18.1 ttt -70.69 -47.16 61.3 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.424 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.515 HG23 ' CD2' ' A' ' 88' ' ' LEU . 9.5 mt -70.34 -24.14 25.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.429 -0.794 . . . . 0.0 109.019 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -70.67 -40.11 73.16 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.35 -37.93 86.47 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.616 -0.677 . . . . 0.0 109.295 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.472 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.1 mt -70.86 -28.76 34.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.642 ' HA ' HD13 ' A' ' 88' ' ' LEU . 18.9 t80 -64.03 -51.92 61.9 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.375 -0.828 . . . . 0.0 109.555 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 69' ' ' THR . 2.4 t-20 -74.53 -32.37 62.45 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.781 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 130' ' ' LEU . 38.6 tp -63.4 -31.76 73.01 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.315 -0.866 . . . . 0.0 109.288 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 63' ' ' ILE . 23.0 m-85 -100.6 -11.59 19.93 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.581 -0.7 . . . . 0.0 110.101 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 9.6 t -91.78 -13.68 31.11 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.194 -0.941 . . . . 0.0 109.743 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 65' ' ' ASN . 5.1 p -57.16 151.63 15.13 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.295 -0.878 . . . . 0.0 110.005 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.99 -24.83 67.87 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.585 -0.697 . . . . 0.0 109.679 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 45.6 m-20 -75.99 -38.75 57.05 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.44 -0.788 . . . . 0.0 109.289 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.508 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 88.3 p -78.06 -32.97 51.1 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.668 -0.645 . . . . 0.0 109.947 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.2 t -65.77 -34.01 77.19 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.557 -0.714 . . . . 0.0 109.443 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.27 -25.64 31.42 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.95 -35.91 77.32 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.518 -0.739 . . . . 0.0 110.141 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.449 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 65.8 m95 -116.75 170.41 8.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.689 -0.632 . . . . 0.0 109.813 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.41 134.13 52.81 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.212 -0.91 0 O-C-N 121.543 -0.723 . . . . 0.0 110.193 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -78.71 -44.58 23.19 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.136 -0.977 . . . . 0.0 108.937 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.19 -35.29 78.41 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 81' ' ' LEU . 10.7 mt -75.24 -32.51 61.13 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.414 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 39.1 m-20 -55.92 -49.85 72.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.42 -39.7 94.34 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 88' ' ' LEU . 16.9 t80 -61.95 -26.46 68.21 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 121.739 -0.601 . . . . 0.0 109.875 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.9 m-85 -76.12 -41.02 51.44 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.096 -1.002 . . . . 0.0 109.083 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.0 m -69.37 -32.9 72.25 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.642 -0.661 . . . . 0.0 109.614 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.648 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -74.64 -35.3 62.87 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.285 -0.885 . . . . 0.0 109.643 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.771 HD11 ' CE2' ' A' ' 84' ' ' PHE . 74.8 mt -71.22 -41.27 70.43 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.496 -0.753 . . . . 0.0 109.599 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.5 t80 -77.34 -27.11 52.65 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.557 -0.714 . . . . 0.0 110.171 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.94 -49.91 47.15 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.168 -0.957 . . . . 0.0 108.681 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.451 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 62.2 tp60 -67.2 -31.95 72.67 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 12.2 mt -66.64 -35.01 79.15 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.498 -0.752 . . . . 0.0 109.693 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -69.42 -42.36 75.13 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.394 -0.816 . . . . 0.0 109.459 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -35.11 74.06 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.492 -0.755 . . . . 0.0 109.582 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.896 HD23 HG23 ' A' ' 53' ' ' ILE . 69.3 mt . . . . . 0 C--O 1.217 -0.611 0 O-C-N 121.615 -0.678 . . . . 0.0 109.68 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 51.0 t0 . . . . . 0 C--O 1.214 -0.806 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.476 ' OG ' HG22 ' A' ' 55' ' ' VAL . 21.6 p -63.14 -50.67 69.51 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.38 -0.825 . . . . 0.0 109.514 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.654 HG23 ' HB3' ' A' ' 58' ' ' GLU . 80.3 mt -66.5 -35.8 75.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 O-C-N 121.7 -0.625 . . . . 0.0 109.449 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 117' ' ' LEU . 6.7 tt -63.9 -35.51 80.89 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.596 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -63.92 -49.55 72.21 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 59' ' ' MET . 67.9 t -63.35 -28.62 45.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.422 ' O ' ' HD2' ' A' ' 120' ' ' ARG . 5.2 tmm_? -64.76 -48.14 75.65 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.272 -0.893 . . . . 0.0 109.121 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 121' ' ' LYS . 12.7 tmtt? -63.51 -35.76 81.53 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.538 -0.726 . . . . 0.0 109.321 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.654 ' CE2' HD11 ' A' ' 126' ' ' ILE . 67.2 t80 -61.03 -53.37 57.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.607 -0.683 . . . . 0.0 109.576 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -70.44 -22.32 62.71 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.673 -0.642 . . . . 0.0 110.404 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.77 -40.67 88.3 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.08 -36.2 77.35 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.654 HD11 ' CE2' ' A' ' 122' ' ' TYR . 59.4 mt -65.67 -36.45 77.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.8 m -68.56 -42.06 78.86 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.5 tt -69.43 -33.82 73.54 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.432 -0.793 . . . . 0.0 109.272 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.451 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 11.4 t80 -62.95 -38.47 91.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 109.196 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 66' ' ' LEU . 50.0 mt -68.26 -42.87 78.98 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -69.26 -23.44 63.85 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.304 -0.873 . . . . 0.0 109.871 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.34 -48.94 25.02 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.342 -0.849 . . . . 0.0 109.187 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' HB3' ' HB3' ' A' ' 136' ' ' SER . 14.6 mptt -83.43 3.89 30.0 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.701 -0.624 . . . . 0.0 109.709 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 59.04 43.6 17.37 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.499 -0.751 . . . . 0.0 109.659 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.6 m-85 58.22 49.38 11.31 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.619 0.723 . . . . 0.0 109.499 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.473 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.6 t -75.81 151.54 84.54 Favored Pre-proline 0 C--O 1.217 -0.654 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.473 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.7 Cg_endo -63.53 -29.32 70.61 Favored 'Trans proline' 0 C--N 1.351 0.71 0 O-C-N 123.693 1.365 . . . . 0.0 110.913 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.31 -39.07 49.19 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.406 -0.809 . . . . 0.0 108.882 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.55 -38.72 92.19 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.508 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 23.0 m95 -70.23 -34.22 72.6 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.546 -0.721 . . . . 0.0 109.536 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -64.45 -43.59 93.77 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.44 -0.788 . . . . 0.0 109.205 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.702 HG21 ' O ' ' A' ' 32' ' ' ASP . 75.8 t -66.76 -41.54 88.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 139' ' ' ALA . 88.5 t -68.0 -24.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.668 -0.645 . . . . 0.0 109.262 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.449 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 35.8 ttp85 -69.04 -48.68 62.28 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.246 -0.909 . . . . 0.0 108.746 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.51 -30.21 68.98 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.418 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 41.3 mm-40 -73.63 -33.81 64.71 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.553 -0.717 . . . . 0.0 109.878 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.7 mm -77.61 -33.47 19.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.2 ttm -72.52 -38.66 68.0 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -70.58 -46.69 62.99 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 121.62 -0.675 . . . . 0.0 109.264 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 80.6 p -62.0 -41.37 97.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.837 -0.539 . . . . 0.0 109.737 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.792 ' HB3' HD21 ' A' ' 15' ' ' LEU . 31.4 t80 -66.29 -41.92 89.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.461 -0.774 . . . . 0.0 109.404 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 156' ' ' ASN . 69.3 m -65.94 -34.55 78.37 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.474 -0.766 . . . . 0.0 109.45 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.433 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . 52.5 mt -68.01 -38.76 82.97 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.608 -0.683 . . . . 0.0 109.383 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.608 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.1 m -74.17 -27.26 60.74 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.216 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.64 HG21 ' CE1' ' A' ' 151' ' ' PHE . 74.8 p -101.02 0.66 38.48 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.354 -0.841 . . . . 0.0 110.777 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 152' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 109.709 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.621 ' CB ' HG21 ' A' ' 155' ' ' THR . 29.5 t . . . . . 0 C--O 1.213 -0.823 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -66.42 -37.77 85.95 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.305 -0.872 . . . . 0.0 109.413 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -74.18 -37.86 63.82 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.481 -0.762 . . . . 0.0 109.586 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.414 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 41.1 m -64.34 -43.07 95.76 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.443 -0.786 . . . . 0.0 109.113 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.907 HD23 HD12 ' A' ' 18' ' ' LEU . 80.6 mt -72.29 -29.98 64.38 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.557 -0.715 . . . . 0.0 109.273 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.79 -39.16 93.58 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.709 HD13 ' HA ' ' A' ' 84' ' ' PHE . 95.4 mt -61.98 -43.41 98.89 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.907 HD12 HD23 ' A' ' 15' ' ' LEU . 64.2 mt -59.19 -38.21 79.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.945 -0.472 . . . . 0.0 110.039 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.39 93.18 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.44 -0.787 . . . . 0.0 109.615 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.44 -32.84 72.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.415 -0.803 . . . . 0.0 109.843 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.484 ' HG3' ' HB3' ' A' ' 80' ' ' LEU . 18.5 mtp -66.67 -30.18 70.37 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.457 -0.777 . . . . 0.0 110.28 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -48.93 116.59 1.71 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 2.0 pttp -101.57 -36.57 8.73 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.811 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -114.53 170.49 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-O 121.538 0.685 . . . . 0.0 109.897 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -96.81 145.28 25.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.22 -33.23 73.14 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.514 -0.741 . . . . 0.0 109.014 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -66.98 -38.6 86.34 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.468 -0.77 . . . . 0.0 108.972 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.2 m -64.75 -29.93 70.92 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.032 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.811 ' SG ' HD12 ' A' ' 24' ' ' ILE . 9.6 m -113.78 55.87 0.71 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.63 -0.669 . . . . 0.0 109.823 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 46.6 mt -82.12 7.6 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.942 -1.099 . . . . 0.0 110.334 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -71.69 -35.44 70.25 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.208 -0.933 . . . . 0.0 108.742 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.607 ' O ' HG21 ' A' ' 142' ' ' VAL . 44.2 m-20 -114.87 30.11 7.57 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -74.91 116.03 15.17 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.427 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.424 ' CE1' ' CZ ' ' A' ' 129' ' ' TYR . 28.8 p-80 -176.11 163.47 2.64 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.651 -0.655 . . . . 0.0 109.46 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -93.97 124.72 38.16 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 21.3 m-85 -60.79 -36.95 80.31 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.08 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.19 52.99 0.36 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.486 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.1 t80 -62.18 128.75 91.45 Favored Pre-proline 0 C--O 1.216 -0.668 0 O-C-N 121.689 -0.889 . . . . 0.0 108.946 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.486 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.9 Cg_endo -76.8 65.96 7.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 O-C-N 123.822 1.433 . . . . 0.0 110.695 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.621 ' HG3' HD22 ' A' ' 153' ' ' LEU . 2.8 tm0? -72.82 -14.51 61.53 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -59.07 -27.93 65.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 5.1 tp10 -99.16 29.25 3.99 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.532 -0.73 . . . . 0.0 109.067 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.635 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 32.2 m-85 . . . . . 0 C--O 1.219 -0.548 0 O-C-N 121.364 -0.835 . . . . 0.0 108.896 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.494 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.5 t . . . . . 0 C--O 1.212 -0.893 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.69 HG23 HD23 ' A' ' 95' ' ' LEU . 31.9 mt -53.38 -45.65 98.37 Favored Pre-proline 0 C--O 1.215 -0.73 0 O-C-N 121.108 -0.995 . . . . 0.0 110.586 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.93 -32.24 54.95 Favored 'Trans proline' 0 C--N 1.356 0.973 0 O-C-N 123.316 1.167 . . . . 0.0 110.633 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.763 ' HA ' HG12 ' A' ' 116' ' ' ILE . 76.7 t -71.74 -46.03 63.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 154' ' ' SER . 47.3 mt -59.86 -32.15 70.43 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.444 ' O ' HD21 ' A' ' 92' ' ' LEU . 60.3 t-80 -65.17 -53.16 49.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.685 -0.634 . . . . 0.0 109.738 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.25 -23.58 62.93 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.067 -1.021 . . . . 0.0 110.29 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.494 ' HG3' HG11 ' A' ' 119' ' ' VAL . 3.2 ttt -70.88 -45.54 64.18 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.191 -0.943 . . . . 0.0 108.744 178.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.584 HG23 ' CD2' ' A' ' 88' ' ' LEU . 30.1 mt -71.41 -25.31 24.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 121.524 -0.735 . . . . 0.0 109.484 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -72.09 -35.92 69.35 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -70.18 -39.47 75.23 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.444 HG23 ' CE1' ' A' ' 67' ' ' PHE . 83.2 mt -68.56 -31.55 51.56 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.577 ' HA ' HD13 ' A' ' 88' ' ' LEU . 25.9 t80 -62.04 -48.93 78.05 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.722 -0.611 . . . . 0.0 109.746 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.756 ' O ' HG23 ' A' ' 69' ' ' THR . 6.8 m120 -76.84 -33.68 57.9 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.2 tp -63.06 -31.91 73.16 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.314 -0.866 . . . . 0.0 109.235 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.5 m-85 -94.53 -24.19 17.37 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.685 -0.635 . . . . 0.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -80.8 -13.21 59.16 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.855 . . . . 0.0 110.473 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 65' ' ' ASN . 21.5 p -58.4 150.1 23.18 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.179 -0.95 . . . . 0.0 110.065 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.98 -22.48 62.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.759 -0.588 . . . . 0.0 110.006 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -78.38 -43.5 27.39 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.355 -0.841 . . . . 0.0 109.591 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 t -75.58 -30.84 59.75 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.405 -0.81 . . . . 0.0 109.593 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.1 m -65.54 -35.51 81.08 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.523 -0.736 . . . . 0.0 109.48 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.12 -24.9 34.88 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.58 73.29 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.475 -0.766 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 68.7 m95 -113.49 171.41 7.58 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.535 -0.728 . . . . 0.0 109.997 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -69.32 136.06 51.28 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.03 -28.33 68.78 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.588 -0.695 . . . . 0.0 110.598 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -78.1 -43.87 27.78 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.908 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.484 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 83.0 mt -64.34 -37.28 86.96 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.0 mt -72.51 -31.66 65.52 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -57.58 -54.33 48.12 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.81 -33.06 73.44 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.823 ' CE2' HD11 ' A' ' 88' ' ' LEU . 18.3 t80 -65.42 -34.41 78.23 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.771 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -71.4 -32.83 68.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 120.983 -1.073 . . . . 0.0 108.99 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -71.25 -40.66 70.87 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.507 -0.745 . . . . 0.0 109.619 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -73.4 -28.22 61.89 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.3 -0.875 . . . . 0.0 109.553 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.823 HD11 ' CE2' ' A' ' 84' ' ' PHE . 76.4 mt -73.61 -41.14 63.21 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.355 -0.84 . . . . 0.0 109.284 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -77.08 -29.97 55.25 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -73.76 -47.49 38.62 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.303 -0.873 . . . . 0.0 108.893 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.08 -29.66 70.79 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.444 HD21 ' O ' ' A' ' 57' ' ' HIS . 12.3 mt -67.99 -49.06 63.84 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.504 -0.747 . . . . 0.0 109.084 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -56.3 -38.51 71.35 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.703 -0.623 . . . . 0.0 109.693 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -67.74 -46.79 71.12 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 53' ' ' ILE . 52.4 mt . . . . . 0 C--O 1.216 -0.685 0 O-C-N 121.887 -0.508 . . . . 0.0 110.323 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 C--O 1.213 -0.826 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.424 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 2.3 p -63.0 -44.9 94.74 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.13 -0.981 . . . . 0.0 109.061 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.763 HG12 ' HA ' ' A' ' 55' ' ' VAL . 68.5 mt -71.08 -30.83 42.71 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 109.144 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.8 tt -67.72 -29.78 69.11 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.414 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -69.45 -45.51 68.89 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.494 HG11 ' HG3' ' A' ' 59' ' ' MET . 49.2 t -67.56 -23.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 120' ' ' ARG . 10.8 tpt180 -70.9 -50.24 37.15 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -66.31 -24.78 66.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.508 -0.745 . . . . 0.0 109.139 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.417 ' O ' HG13 ' A' ' 126' ' ' ILE . 31.2 t80 -69.66 -50.05 47.79 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.468 ' HA ' HD12 ' A' ' 126' ' ' ILE . 9.1 m-85 -69.56 -24.23 63.67 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.794 -0.566 . . . . 0.0 109.835 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -66.41 -41.08 89.81 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.41 -38.3 90.63 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.478 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 62.3 mt -63.35 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.416 HG22 ' HE2' ' A' ' 131' ' ' LYS . 12.9 m -65.93 -37.07 85.09 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.589 -0.695 . . . . 0.0 109.396 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 128' ' ' LEU . 14.8 tp -65.76 -43.11 89.86 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 121.554 -0.716 . . . . 0.0 109.208 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.424 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -62.5 -32.83 73.8 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.667 -0.646 . . . . 0.0 109.808 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.511 HD22 ' CE2' ' A' ' 140' ' ' TRP . 44.1 mt -73.81 -34.11 64.46 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.522 -0.736 . . . . 0.0 109.639 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.416 ' HE2' HG22 ' A' ' 127' ' ' THR . 54.7 mtmt -81.64 -19.93 40.73 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.99 -1.068 . . . . 0.0 109.482 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -79.98 -47.87 14.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.367 -0.833 . . . . 0.0 109.144 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 5.5 mptp? -82.18 2.8 29.9 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.632 -0.667 . . . . 0.0 109.516 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 59.67 40.38 20.0 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.295 -0.878 . . . . 0.0 109.686 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 88.3 m-85 58.66 51.46 7.77 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.379 0.609 . . . . 0.0 110.06 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.474 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 11.4 m -80.69 163.06 58.1 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.469 -0.769 . . . . 0.0 109.516 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.547 ' O ' HD11 ' A' ' 24' ' ' ILE . 41.4 Cg_endo -68.87 -36.16 14.05 Favored 'Trans proline' 0 C--N 1.349 0.597 0 O-C-N 123.765 1.403 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 16.6 m -68.55 -42.58 78.19 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.476 -0.765 . . . . 0.0 109.145 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.63 -39.64 94.87 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.56 -0.713 . . . . 0.0 109.204 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.511 ' CE2' HD22 ' A' ' 130' ' ' LEU . 21.7 m95 -69.21 -38.24 78.46 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.517 -0.739 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.438 ' CG ' HG13 ' A' ' 24' ' ' ILE . 13.3 tp10 -65.69 -39.44 91.28 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 32' ' ' ASP . 44.5 t -64.08 -38.91 83.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.702 ' HA ' ' HG2' ' A' ' 146' ' ' GLU . 87.7 t -74.05 -21.33 17.86 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.803 ' NH1' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.38 -52.3 41.69 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.62 65.93 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.702 ' HG2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -75.74 -35.49 60.2 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.559 -0.713 . . . . 0.0 109.73 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.626 ' N ' ' HG3' ' A' ' 146' ' ' GLU . 22.0 mm -81.22 -31.44 11.74 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 121.371 -0.831 . . . . 0.0 109.276 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.429 ' CG ' ' HB3' ' A' ' 18' ' ' LEU . 47.1 mtp -70.17 -43.08 71.53 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -39.56 58.58 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.491 -0.756 . . . . 0.0 109.991 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.412 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 72.6 m -68.75 -38.81 80.39 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.447 -0.783 . . . . 0.0 109.978 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.817 ' HB3' HD21 ' A' ' 15' ' ' LEU . 28.6 t80 -69.21 -35.24 76.01 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 109.124 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.0 t -69.09 -38.86 79.21 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.621 HD22 ' HG3' ' A' ' 40' ' ' GLN . 47.4 mt -64.25 -39.27 93.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.593 ' HB3' HD22 ' A' ' 56' ' ' LEU . 3.7 m -70.63 -31.49 68.47 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.774 -0.579 . . . . 0.0 110.112 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.621 HG21 ' CB ' ' A' ' 11' ' ' SER . 82.1 p -93.62 -0.37 56.18 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.317 -0.864 . . . . 0.0 110.062 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 . . . . . 0 CA--C 1.542 0.639 0 O-C-N 121.101 -1.0 . . . . 0.0 110.104 179.711 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.54 ' HB2' HG21 ' A' ' 155' ' ' THR . 31.4 t . . . . . 0 C--O 1.213 -0.843 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -65.22 -33.4 75.9 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.424 -0.798 . . . . 0.0 109.809 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -72.24 -40.92 67.37 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.28 -0.887 . . . . 0.0 109.055 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -61.15 -42.42 98.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 151' ' ' PHE . 92.2 mt -70.58 -30.9 67.71 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ttp -63.39 -34.81 78.55 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 84' ' ' PHE . 78.5 mt -64.51 -42.6 95.7 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.767 HD12 HD23 ' A' ' 15' ' ' LEU . 65.0 mt -59.58 -30.35 68.59 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 109.554 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.63 -34.58 65.06 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.296 -0.877 . . . . 0.0 109.44 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.05 -46.33 71.42 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.413 -0.805 . . . . 0.0 109.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.4 ptp -62.0 -26.03 67.99 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.467 -0.77 . . . . 0.0 110.317 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -49.76 110.83 0.42 Allowed 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.448 -0.782 . . . . 0.0 109.514 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 4.7 mtpp -94.02 -38.67 11.03 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.894 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.6 pt -111.94 167.13 5.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 121.526 0.679 . . . . 0.0 109.791 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.6 m -91.17 143.21 26.91 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 30' ' ' LEU . 63.9 tp -59.24 -37.62 78.01 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.766 ' HA ' HD13 ' A' ' 30' ' ' LEU . 94.2 m-85 -60.19 -41.73 93.56 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 t -58.76 -31.01 67.97 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.894 ' SG ' HD12 ' A' ' 24' ' ' ILE . 67.3 m -104.3 51.73 0.77 Allowed 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.701 -0.624 . . . . 0.0 109.788 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.766 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -86.81 12.24 11.39 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.328 -0.858 . . . . 0.0 110.063 179.288 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -103.66 -22.54 13.56 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.2 -0.937 . . . . 0.0 109.608 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.707 ' O ' HG21 ' A' ' 142' ' ' VAL . 79.7 m-20 -112.17 24.49 12.54 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -78.01 101.92 7.15 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.945 -1.097 . . . . 0.0 110.076 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -130.22 117.51 19.98 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -72.51 138.87 47.25 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.502 -0.749 . . . . 0.0 109.461 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 44.9 m-85 -89.98 -44.79 9.63 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.31 72.71 0.5 Allowed Glycine 0 CA--C 1.532 1.143 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.1 t80 -69.98 131.93 88.81 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.513 -0.992 . . . . 0.0 109.042 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.8 Cg_endo -84.62 75.61 3.68 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 O-C-N 123.749 1.394 . . . . 0.0 111.195 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 41.4 tt0 -77.65 -15.87 58.91 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.215 -0.928 . . . . 0.0 109.358 178.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -57.63 -32.17 66.98 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.183 -0.948 . . . . 0.0 109.279 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.8 tp10 -97.34 40.1 1.17 Allowed 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.3 m-85 . . . . . 0 C--O 1.212 -0.903 0 O-C-N 121.311 -0.868 . . . . 0.0 109.06 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.553 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 1.6 p . . . . . 0 C--O 1.208 -1.129 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.757 HG23 HD23 ' A' ' 95' ' ' LEU . 58.7 mt -44.86 -49.22 28.74 Favored Pre-proline 0 C--O 1.215 -0.751 0 O-C-N 121.346 -0.847 . . . . 0.0 111.4 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.0 Cg_endo -64.08 -36.99 45.05 Favored 'Trans proline' 0 C--N 1.355 0.872 0 O-C-N 123.104 1.054 . . . . 0.0 110.608 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.695 ' HA ' HG12 ' A' ' 116' ' ' ILE . 38.9 t -70.11 -37.66 72.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.627 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 29.4 mt -67.9 -29.99 69.22 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -68.01 -50.58 54.69 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.534 -0.729 . . . . 0.0 109.464 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.617 ' HG2' HG21 ' A' ' 116' ' ' ILE . 16.3 tp10 -71.62 -29.12 64.3 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.155 -0.966 . . . . 0.0 109.778 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.9 ttt -66.18 -47.73 73.0 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.2 -0.937 . . . . 0.0 109.064 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.634 HG23 ' CD2' ' A' ' 88' ' ' LEU . 13.6 mt -67.87 -24.97 31.32 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 121.504 -0.747 . . . . 0.0 109.423 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -35.74 64.67 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -68.7 -39.27 80.59 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 121.54 -0.725 . . . . 0.0 109.217 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.577 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.5 mt -71.07 -33.78 52.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.623 ' HA ' HD13 ' A' ' 88' ' ' LEU . 54.5 t80 -59.6 -42.71 93.2 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.587 -0.696 . . . . 0.0 109.704 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.731 ' O ' HG23 ' A' ' 69' ' ' THR . 21.0 t-20 -79.59 -42.41 25.05 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.616 -0.677 . . . . 0.0 109.908 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD11 HD11 ' A' ' 130' ' ' LEU . 32.5 tp -55.61 -32.45 63.13 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.468 -0.77 . . . . 0.0 109.518 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.577 ' CE1' HG23 ' A' ' 63' ' ' ILE . 16.2 m-85 -94.44 -27.95 15.75 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.493 -0.755 . . . . 0.0 109.891 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.7 t -74.27 -19.47 60.48 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.284 -0.885 . . . . 0.0 110.246 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 65' ' ' ASN . 28.3 p -54.57 148.57 12.11 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.728 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -61.99 -22.09 65.39 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.568 -0.707 . . . . 0.0 110.08 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -75.76 -42.66 49.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.414 -0.804 . . . . 0.0 109.388 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.4 t -78.65 -30.7 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.495 -0.753 . . . . 0.0 109.835 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 74.2 m -64.44 -34.98 79.45 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.44 -0.788 . . . . 0.0 109.123 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.8 -25.52 30.35 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -68.24 -31.86 71.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.157 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -120.19 177.47 5.0 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.444 -0.785 . . . . 0.0 109.747 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.41 135.26 42.38 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.286 -0.884 . . . . 0.0 108.632 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -66.07 -27.79 68.34 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.412 -0.805 . . . . 0.0 110.566 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.8 m -78.38 -44.44 24.99 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.066 -1.021 . . . . 0.0 108.864 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.57 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.453 HD21 ' HE1' ' A' ' 21' ' ' MET . 11.4 mt -71.25 -32.87 69.26 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -55.69 -52.38 64.07 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.87 -33.21 75.19 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.719 ' CE2' HD11 ' A' ' 88' ' ' LEU . 19.3 t80 -64.64 -33.18 75.32 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.692 -0.63 . . . . 0.0 109.482 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -72.16 -37.91 69.27 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.326 -0.859 . . . . 0.0 109.367 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -68.33 -39.95 81.75 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.614 -0.679 . . . . 0.0 109.669 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.567 ' HG3' HD11 ' A' ' 17' ' ' LEU . 56.3 mm-40 -72.41 -31.81 65.82 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.283 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.719 HD11 ' CE2' ' A' ' 84' ' ' PHE . 55.0 mt -67.4 -43.08 82.16 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.497 -0.752 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.546 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -77.88 -24.76 48.35 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.361 -0.837 . . . . 0.0 110.127 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -68.37 -49.99 56.25 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -66.39 -27.94 68.24 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 19.9 mt -69.37 -36.38 76.77 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.457 -0.777 . . . . 0.0 109.453 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -69.27 -43.18 74.45 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.336 -0.852 . . . . 0.0 109.23 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -64.52 -43.72 93.16 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.565 -0.709 . . . . 0.0 109.22 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.757 HD23 HG23 ' A' ' 53' ' ' ILE . 77.1 mt . . . . . 0 C--O 1.217 -0.628 0 O-C-N 121.848 -0.532 . . . . 0.0 109.821 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 28.4 t0 . . . . . 0 C--O 1.213 -0.816 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.562 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 46.4 t -61.47 -48.75 79.68 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.003 -1.061 . . . . 0.0 108.327 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.695 HG12 ' HA ' ' A' ' 55' ' ' VAL . 69.7 mt -64.79 -34.07 67.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 117' ' ' LEU . 63.0 mt -66.73 -30.72 71.02 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.597 -0.69 . . . . 0.0 109.462 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.481 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.49 -44.46 78.46 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.36 -28.62 44.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -68.02 -44.21 77.04 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -67.45 -35.66 79.65 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 126' ' ' ILE . 84.0 t80 -62.36 -50.66 70.7 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.702 -0.624 . . . . 0.0 109.418 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -68.74 -27.75 66.19 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.689 -0.632 . . . . 0.0 110.243 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -64.0 -40.55 96.61 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 tpp85 -68.18 -36.15 79.16 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.793 HD11 ' CE2' ' A' ' 122' ' ' TYR . 62.1 mt -63.25 -38.63 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -64.14 -43.55 94.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.547 -0.721 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.499 HD12 ' HE3' ' A' ' 131' ' ' LYS . 17.1 tp -63.06 -40.06 96.58 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.509 -0.745 . . . . 0.0 109.011 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -57.96 -43.99 86.75 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.331 0.586 . . . . 0.0 109.525 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.497 HD11 HD11 ' A' ' 66' ' ' LEU . 52.7 mt -64.92 -40.38 94.98 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.499 ' HE3' HD12 ' A' ' 128' ' ' LEU . 55.9 mtmt -72.65 -21.98 61.01 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.184 -0.948 . . . . 0.0 109.92 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -48.54 21.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.256 -0.902 . . . . 0.0 109.32 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -82.65 3.07 30.44 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 109.706 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 59.79 39.24 20.97 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.359 -0.838 . . . . 0.0 109.655 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.3 m-85 60.24 52.53 4.89 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.706 -0.621 . . . . 0.0 109.747 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.462 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 18.0 m -77.06 162.7 68.88 Favored Pre-proline 0 C--O 1.218 -0.594 0 O-C-N 121.494 -0.754 . . . . 0.0 109.179 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.9 Cg_endo -69.27 -42.15 4.19 Favored 'Trans proline' 0 C--N 1.348 0.545 0 O-C-N 123.727 1.383 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.9 -35.7 77.16 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.448 -0.783 . . . . 0.0 109.043 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -62.64 -39.32 93.47 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.553 -0.717 . . . . 0.0 109.214 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.476 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 28.9 m95 -72.09 -33.71 68.08 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.496 -0.752 . . . . 0.0 110.091 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.589 ' CG ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -66.3 -40.57 90.08 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.186 -0.946 . . . . 0.0 108.604 178.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.707 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.0 t -63.31 -43.81 98.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 139' ' ' ALA . 58.3 t -68.7 -24.96 29.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.437 ' HD2' ' C ' ' A' ' 144' ' ' ARG . 6.1 tmm_? -67.89 -48.6 65.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.279 -0.888 . . . . 0.0 108.704 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.57 75.65 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.47 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 30.2 mm-40 -67.19 -37.35 83.52 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.608 -0.682 . . . . 0.0 109.721 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 143' ' ' VAL . 19.8 mm -74.8 -36.18 38.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 109.192 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.575 ' HA ' HD22 ' A' ' 15' ' ' LEU . 30.9 ttm -62.8 -45.83 90.81 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.401 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 17.2 ttt85 -67.76 -52.48 36.81 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 121.851 -0.53 . . . . 0.0 110.009 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 153' ' ' LEU . 66.8 m -55.7 -45.29 77.87 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.955 -0.466 . . . . 0.0 110.57 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.908 ' HB3' HD21 ' A' ' 15' ' ' LEU . 29.1 t80 -65.53 -34.6 78.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.527 -0.733 . . . . 0.0 109.906 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.3 t -74.1 -31.69 62.9 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.367 -0.833 . . . . 0.0 109.353 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 150' ' ' SER . 46.3 mt -69.87 -37.23 76.02 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.522 -0.736 . . . . 0.0 109.083 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.627 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 48.2 m -73.64 -36.82 65.45 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 109.813 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 11' ' ' SER . 81.5 p -88.35 -3.22 58.88 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.439 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 . . . . . 0 C--O 1.215 -0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.329 179.381 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.628 ' CB ' HG21 ' A' ' 155' ' ' THR . 80.0 p . . . . . 0 C--O 1.215 -0.739 0 CA-C-O 120.721 0.296 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -63.07 -40.18 96.9 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -74.4 -43.08 57.93 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.463 -0.773 . . . . 0.0 109.951 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.1 m -58.96 -44.94 91.59 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.432 -0.792 . . . . 0.0 109.651 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.89 HD21 ' HB3' ' A' ' 151' ' ' PHE . 81.1 mt -68.25 -33.3 74.13 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.623 -0.673 . . . . 0.0 109.412 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -62.57 -39.46 93.76 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 84' ' ' PHE . 60.9 mt -60.84 -44.76 96.52 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 HD23 ' A' ' 15' ' ' LEU . 73.2 mt -58.95 -38.87 80.02 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.737 -0.602 . . . . 0.0 109.824 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.62 93.77 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.51 -0.744 . . . . 0.0 109.826 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.04 -32.7 74.13 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.467 -0.771 . . . . 0.0 110.228 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.423 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 17.7 mtm -68.09 -29.09 67.94 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.298 -0.876 . . . . 0.0 110.592 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -49.82 111.22 0.48 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.463 -0.773 . . . . 0.0 109.663 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 1.0 OUTLIER -94.35 -38.82 10.79 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.406 0.622 . . . . 0.0 109.444 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.932 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -114.25 170.44 4.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-O 121.575 0.703 . . . . 0.0 110.595 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.5 m -91.51 143.54 26.49 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' O ' HD13 ' A' ' 30' ' ' LEU . 44.0 tp -60.72 -35.92 77.54 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.602 -0.686 . . . . 0.0 109.498 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.715 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 77.8 m-85 -65.76 -38.95 90.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -61.73 -26.87 68.33 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.932 ' SG ' HD12 ' A' ' 24' ' ' ILE . 37.4 m -105.86 51.91 0.74 Allowed 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.566 -0.709 . . . . 0.0 109.767 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.715 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.83 9.0 8.8 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.188 -0.945 . . . . 0.0 109.957 178.464 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -87.65 -28.98 21.52 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.159 -0.963 . . . . 0.0 109.537 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.743 ' O ' HG21 ' A' ' 142' ' ' VAL . 90.4 m-20 -114.55 21.92 14.09 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.608 -0.682 . . . . 0.0 109.864 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 33.2 tpt85 -66.4 108.56 2.41 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.994 -1.066 . . . . 0.0 109.55 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -150.34 140.07 21.72 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.195 0.522 . . . . 0.0 109.762 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -98.76 138.71 35.53 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -85.71 -42.16 14.5 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 109.705 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.33 43.95 1.42 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 58.2 t80 -43.02 134.64 3.01 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 121.693 -0.886 . . . . 0.0 110.456 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.606 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 56.6 Cg_endo -80.93 81.41 2.74 Favored 'Trans proline' 0 C--N 1.356 0.951 0 O-C-N 123.679 1.357 . . . . 0.0 110.871 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.0 OUTLIER -82.45 -19.99 37.84 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.21 -0.931 . . . . 0.0 109.775 179.193 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.0 -31.47 41.15 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.387 -0.821 . . . . 0.0 109.516 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 0.9 OUTLIER -101.38 46.72 0.93 Allowed 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 10.8 m-85 . . . . . 0 C--O 1.215 -0.762 0 O-C-N 121.339 -0.851 . . . . 0.0 109.199 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 13.0 t . . . . . 0 C--O 1.212 -0.915 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.625 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 mt -51.38 -44.62 89.17 Favored Pre-proline 0 C--O 1.213 -0.848 0 O-C-N 121.129 -0.982 . . . . 0.0 110.617 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.5 -31.45 51.06 Favored 'Trans proline' 0 C--N 1.357 0.987 0 O-C-N 123.23 1.121 . . . . 0.0 110.669 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.681 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.8 t -73.75 -42.01 54.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 121.374 -0.829 . . . . 0.0 108.769 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.619 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.8 mt -64.77 -34.57 78.65 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CD2' HD23 ' A' ' 92' ' ' LEU . 59.8 t-80 -64.0 -51.41 64.37 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.639 -0.663 . . . . 0.0 109.489 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -26.85 65.75 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.235 -0.916 . . . . 0.0 109.339 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -67.32 -38.84 85.59 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.656 HG21 ' HG ' ' A' ' 92' ' ' LEU . 7.1 mm -65.38 -33.55 64.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -70.2 -39.09 75.38 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.6 -0.688 . . . . 0.0 109.652 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.46 -43.02 82.09 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.607 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.2 mt -71.95 -27.45 27.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.539 ' HA ' HD13 ' A' ' 88' ' ' LEU . 20.9 t80 -64.74 -44.95 88.49 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.353 -0.842 . . . . 0.0 109.392 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 69' ' ' THR . 9.8 m120 -77.73 -38.73 46.45 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.833 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.536 HD11 HD11 ' A' ' 130' ' ' LEU . 52.0 tp -58.71 -32.07 68.84 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.695 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.607 ' CE1' HG23 ' A' ' 63' ' ' ILE . 9.2 m-85 -97.22 -25.13 15.39 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.507 -0.745 . . . . 0.0 110.043 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.2 t -73.6 -20.48 60.59 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.317 -0.865 . . . . 0.0 110.172 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 65' ' ' ASN . 31.9 p -54.87 145.94 18.68 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.286 -0.883 . . . . 0.0 109.869 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.8 -26.43 65.74 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.651 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.4 m-20 -70.3 -43.88 69.47 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.459 -0.776 . . . . 0.0 109.416 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.483 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.2 t -75.54 -31.86 60.24 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.472 -0.768 . . . . 0.0 109.796 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.9 m -63.54 -36.59 84.3 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.565 -0.709 . . . . 0.0 109.399 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.25 -25.43 34.1 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.74 -30.74 68.41 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.517 -0.739 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 71.4 m95 -121.65 171.03 9.14 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.427 -0.795 . . . . 0.0 110.036 -178.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 131.21 46.0 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.41 -25.65 68.11 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 121.46 -0.775 . . . . 0.0 110.367 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.6 m -79.67 -44.28 21.19 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.137 -0.977 . . . . 0.0 108.74 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 96.4 mt -62.98 -38.85 92.79 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -71.29 -33.33 69.62 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -55.65 -52.95 62.09 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 83' ' ' LYS . 52.6 mtpt -63.71 -31.81 73.1 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 88' ' ' LEU . 17.2 t80 -68.54 -28.77 67.27 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 121.735 -0.603 . . . . 0.0 109.807 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.483 ' OH ' HD13 ' A' ' 81' ' ' LEU . 25.9 m-85 -77.32 -52.93 8.34 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.025 -1.047 . . . . 0.0 109.236 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.5 m -63.41 -29.42 70.71 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.729 -0.607 . . . . 0.0 109.736 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 90' ' ' GLN . 2.5 tt0 -76.98 -32.91 57.59 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.43 -0.794 . . . . 0.0 109.501 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 84' ' ' PHE . 53.5 mt -70.88 -38.42 73.07 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.473 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 14.0 t80 -77.28 -37.74 52.23 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 110.261 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 87' ' ' GLU . 3.3 pt20 -67.63 -38.19 83.54 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 120.984 -1.073 . . . . 0.0 108.59 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -70.27 -30.25 67.23 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.656 ' HG ' HG21 ' A' ' 60' ' ' ILE . 9.6 mt -67.81 -33.38 74.68 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.31 -40.99 70.45 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.427 -0.796 . . . . 0.0 109.311 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 -40.82 81.69 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.358 -0.838 . . . . 0.0 109.388 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--O 1.216 -0.66 0 O-C-N 121.642 -0.661 . . . . 0.0 109.304 178.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.64 0.257 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.565 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 23.4 t -72.66 -46.8 52.08 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.155 -0.965 . . . . 0.0 109.705 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.681 HG12 ' HA ' ' A' ' 55' ' ' VAL . 73.6 mt -67.93 -35.18 71.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 O-C-N 121.433 -0.792 . . . . 0.0 109.053 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.5 tt -61.31 -37.51 83.48 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.95 75.82 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.445 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 23.0 t -66.01 -23.14 31.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -73.55 -45.2 54.95 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.256 -0.902 . . . . 0.0 110.01 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -74.34 -29.47 61.61 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.445 -0.784 . . . . 0.0 109.427 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 126' ' ' ILE . 4.3 m-85 -76.43 -35.57 58.45 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.469 -0.77 . . . . 0.0 109.619 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -73.65 -31.07 63.31 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.92 -43.08 99.59 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -61.22 -42.15 98.1 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 122' ' ' TYR . 64.5 mt -59.97 -36.89 69.82 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 O-C-N 121.64 -0.663 . . . . 0.0 109.395 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.2 m -65.04 -43.63 91.7 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.513 -0.742 . . . . 0.0 109.459 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.0 mm? -68.08 -30.98 70.3 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.451 -0.781 . . . . 0.0 109.378 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -62.24 -40.5 96.39 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.536 HD11 HD11 ' A' ' 66' ' ' LEU . 75.8 mt -65.71 -46.39 79.15 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.39 -25.04 67.85 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.035 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.75 -50.35 36.96 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.349 -0.845 . . . . 0.0 109.357 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.485 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.2 mptt -82.8 5.09 22.72 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.684 -0.635 . . . . 0.0 109.81 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 61.75 42.09 11.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.504 -0.747 . . . . 0.0 109.793 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 87.5 m-85 57.87 51.31 9.25 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.612 0.72 . . . . 0.0 109.563 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.1 t -76.52 148.96 80.78 Favored Pre-proline 0 C--O 1.215 -0.722 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.96 -30.39 57.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 O-C-N 123.725 1.381 . . . . 0.0 110.748 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -43.71 54.24 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.447 -0.783 . . . . 0.0 108.982 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.89 -33.58 76.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.623 -0.673 . . . . 0.0 109.266 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 11.1 m95 -66.61 -36.34 82.37 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.514 -0.741 . . . . 0.0 109.671 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.5 -31.88 69.16 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.309 -0.869 . . . . 0.0 109.154 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.743 HG21 ' O ' ' A' ' 32' ' ' ASP . 65.3 t -64.09 -41.56 92.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 147' ' ' ILE . 67.6 t -74.07 -24.61 19.42 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.5 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 26.6 ttp85 -68.46 -47.68 66.5 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.195 -0.94 . . . . 0.0 108.719 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 149' ' ' ARG . . . -68.05 -32.17 72.34 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.84 -30.95 62.96 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.617 -0.677 . . . . 0.0 109.975 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.6 mm -78.58 -34.53 17.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.136 -0.977 . . . . 0.0 109.253 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.57 ' HG3' HD22 ' A' ' 15' ' ' LEU . 29.4 ttm -74.7 -37.65 62.57 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.461 ' CZ ' HD11 ' A' ' 153' ' ' LEU . 1.6 tmm_? -73.09 -43.09 62.28 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.539 -0.726 . . . . 0.0 109.275 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.535 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 75.0 m -65.58 -40.54 92.86 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.89 ' HB3' HD21 ' A' ' 15' ' ' LEU . 44.6 t80 -66.7 -40.12 88.36 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -65.21 -37.55 87.64 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.569 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 71.0 mt -64.42 -40.38 95.65 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.602 -0.686 . . . . 0.0 109.312 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.9 m -72.5 -25.84 61.56 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.655 -0.653 . . . . 0.0 110.126 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.628 HG21 ' CB ' ' A' ' 11' ' ' SER . 44.1 p -101.82 2.13 37.93 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.215 -0.713 0 O-C-N 121.217 -0.927 . . . . 0.0 110.742 179.581 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.637 ' HB2' HG21 ' A' ' 155' ' ' THR . 74.7 p . . . . . 0 C--O 1.215 -0.731 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -64.35 -37.76 88.66 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.381 -0.825 . . . . 0.0 109.639 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -75.99 -40.11 54.41 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.36 -0.838 . . . . 0.0 109.941 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.7 m -62.75 -42.22 99.57 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.324 -0.86 . . . . 0.0 109.51 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 18' ' ' LEU . 46.9 mt -69.68 -32.82 71.66 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.566 -0.708 . . . . 0.0 109.156 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.7 ttp -64.35 -37.03 86.05 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 84' ' ' PHE . 94.3 mt -64.31 -39.52 94.09 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.658 ' HG ' ' CE2' ' A' ' 84' ' ' PHE . 12.3 mt -59.26 -36.63 75.85 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.78 73.58 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.48 -0.762 . . . . 0.0 109.92 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.436 ' NE2' HD23 ' A' ' 17' ' ' LEU . 66.4 mt-30 -66.0 -43.42 87.78 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.019 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.574 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 28.2 mtm -64.53 -27.42 68.96 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.413 -0.804 . . . . 0.0 110.111 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.07 98.79 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.382 0.61 . . . . 0.0 109.852 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -84.35 -43.54 14.64 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.917 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.7 pt -108.83 168.37 3.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-O 121.372 0.606 . . . . 0.0 109.552 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.8 m -100.59 157.45 16.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.548 -0.72 . . . . 0.0 109.705 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD11 ' HG3' ' A' ' 33' ' ' ARG . 61.5 tp -65.12 -29.67 70.54 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HA ' ' CG ' ' A' ' 30' ' ' LEU . 90.8 m-85 -67.37 -37.54 83.34 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -67.63 -30.07 69.55 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.389 -0.819 . . . . 0.0 108.975 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.917 ' SG ' HD12 ' A' ' 24' ' ' ILE . 60.3 m -112.36 54.26 0.71 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.541 -0.724 . . . . 0.0 109.985 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 75.6 mt -86.79 1.21 53.05 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.952 -1.093 . . . . 0.0 110.49 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 27.3 tptp -84.22 -29.76 26.29 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.19 -0.944 . . . . 0.0 109.527 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' HA ' ' A' ' 139' ' ' ALA . 2.1 p-10 -107.58 16.19 24.0 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.47 -0.769 . . . . 0.0 110.777 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' HD11 ' A' ' 26' ' ' LEU . 23.3 ttm180 -71.99 119.06 15.64 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 120.604 -1.31 . . . . 0.0 109.676 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -137.8 129.35 28.15 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.3 113.68 6.86 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.51 -0.744 . . . . 0.0 109.243 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 76.3 m-85 -71.82 -42.16 67.34 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.541 -0.725 . . . . 0.0 109.254 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.45 61.85 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.627 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 69.3 t80 -70.06 128.48 91.58 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.467 -1.019 . . . . 0.0 108.543 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.4 Cg_endo -77.83 64.62 8.22 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 O-C-N 123.718 1.378 . . . . 0.0 111.13 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.719 ' HG3' HD22 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -72.35 -21.0 61.37 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.304 178.282 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.45 -33.51 65.96 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.379 -0.825 . . . . 0.0 108.929 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -97.66 29.9 3.16 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.406 -0.809 . . . . 0.0 109.21 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 5.0 m-85 . . . . . 0 C--O 1.218 -0.587 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.458 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 5.6 t . . . . . 0 C--O 1.213 -0.851 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.663 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 47.5 mt -58.3 -41.98 92.38 Favored Pre-proline 0 C--O 1.213 -0.861 0 O-C-N 120.94 -1.1 . . . . 0.0 109.96 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -66.09 -29.17 48.43 Favored 'Trans proline' 0 C--N 1.358 1.03 0 O-C-N 123.131 1.069 . . . . 0.0 110.221 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.653 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.46 -41.65 49.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.591 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 43.4 mt -65.39 -37.19 86.24 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -61.89 -47.95 82.66 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.675 -0.641 . . . . 0.0 109.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.951 ' HG3' HD13 ' A' ' 116' ' ' ILE . 61.2 mm-40 -69.63 -28.51 65.97 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.532 -0.73 . . . . 0.0 109.539 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 ttt -68.19 -36.79 80.13 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.372 -0.83 . . . . 0.0 109.068 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.736 HG21 ' HG ' ' A' ' 92' ' ' LEU . 9.0 mm -67.7 -37.61 78.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -71.35 -34.59 70.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.53 -0.731 . . . . 0.0 109.74 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -69.8 -43.89 71.19 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.33 -0.856 . . . . 0.0 109.223 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 67' ' ' PHE . 91.7 mt -69.27 -29.8 43.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.683 ' HA ' HD13 ' A' ' 88' ' ' LEU . 55.8 t80 -61.99 -43.93 97.8 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.389 -0.819 . . . . 0.0 109.821 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 69' ' ' THR . 1.9 t-20 -78.17 -39.55 40.54 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.53 -0.732 . . . . 0.0 109.865 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 130' ' ' LEU . 40.5 tp -60.0 -30.36 69.09 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.371 -0.831 . . . . 0.0 109.606 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 63' ' ' ILE . 7.3 m-85 -98.11 -15.76 19.83 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.572 -0.705 . . . . 0.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.9 t -85.03 -17.26 38.06 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.154 -0.966 . . . . 0.0 109.651 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 65' ' ' ASN . 7.0 p -54.83 147.82 14.32 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.432 -0.792 . . . . 0.0 110.214 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.01 -24.57 67.98 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.59 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.62 -38.27 55.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.528 -0.732 . . . . 0.0 109.511 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.525 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 87.7 p -78.05 -32.23 50.75 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.489 -0.757 . . . . 0.0 109.79 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 69.4 m -66.75 -35.53 80.31 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.678 -0.638 . . . . 0.0 109.494 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.86 36.81 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.6 -0.687 . . . . 0.0 109.152 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.69 67.87 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.524 -0.735 . . . . 0.0 110.33 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.499 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 77.7 m95 -111.05 174.08 6.03 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.633 -0.667 . . . . 0.0 110.055 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.26 131.05 44.67 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -63.95 -28.28 69.71 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.381 -0.824 . . . . 0.0 110.39 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.8 m -76.65 -45.39 30.08 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.269 -0.894 . . . . 0.0 108.92 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.574 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 91.6 mt -63.21 -38.5 91.4 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.56 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 9.7 mt -69.47 -32.96 72.19 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.97 -49.49 75.56 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' N ' ' HE2' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -65.5 -30.06 70.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.383 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -64.83 -41.75 95.49 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.391 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.24 -37.61 85.92 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 109.409 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -38.63 81.48 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.627 -0.67 . . . . 0.0 109.835 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.423 ' HG3' HD11 ' A' ' 17' ' ' LEU . 64.8 mm-40 -74.29 -27.42 60.72 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.683 HD13 ' HA ' ' A' ' 64' ' ' PHE . 71.5 mt -74.17 -40.32 62.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.405 -0.81 . . . . 0.0 109.341 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -36.49 61.76 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.383 -0.823 . . . . 0.0 110.237 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -73.3 -42.65 62.15 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.216 -0.927 . . . . 0.0 109.374 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -66.63 -27.73 67.92 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.414 -0.804 . . . . 0.0 108.924 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.736 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.5 mt -66.41 -48.15 70.97 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.75 -40.31 87.7 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.808 -0.557 . . . . 0.0 109.818 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.21 -45.74 86.95 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.263 -0.898 . . . . 0.0 108.673 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.427 HD12 HG13 ' A' ' 60' ' ' ILE . 57.8 mt . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--O 1.216 -0.681 0 CA-C-O 120.87 0.367 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.447 ' OG ' HG22 ' A' ' 55' ' ' VAL . 2.4 p -65.5 -45.88 81.86 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.963 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.951 HD13 ' HG3' ' A' ' 58' ' ' GLU . 68.0 mt -68.11 -28.02 39.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 121.509 -0.744 . . . . 0.0 109.292 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.569 ' C ' HD23 ' A' ' 117' ' ' LEU . 9.3 tt -68.52 -35.8 77.98 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.552 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.41 -47.18 80.14 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.17 -24.5 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -70.75 -43.75 68.19 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.33 -0.856 . . . . 0.0 109.72 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -73.14 -30.55 63.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.415 -0.803 . . . . 0.0 108.941 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.547 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 45.8 t80 -65.32 -49.17 70.45 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -69.95 -29.76 66.97 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.689 -0.632 . . . . 0.0 110.003 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -42.96 99.5 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' A' ' 125' ' ' ARG . 22.0 tpp180 -66.12 -38.1 87.34 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.705 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 58.4 mt -60.21 -37.22 72.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 O-C-N 121.57 -0.706 . . . . 0.0 109.186 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -36.94 80.47 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.487 -0.758 . . . . 0.0 109.25 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 128' ' ' LEU . 23.6 tp -64.87 -47.25 78.57 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.438 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 24.4 t80 -59.56 -36.42 76.17 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.61 -0.681 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.418 ' CD1' HD11 ' A' ' 66' ' ' LEU . 60.0 mt -67.16 -41.86 85.28 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.06 -19.25 60.67 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.327 -0.858 . . . . 0.0 109.713 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.5 -48.04 20.8 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.31 -0.869 . . . . 0.0 109.174 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -84.46 3.14 37.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.783 -0.573 . . . . 0.0 109.657 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 3.7 mptp? 60.21 39.56 19.08 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 63.13 52.77 2.43 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.873 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.1 m -77.5 163.53 63.48 Favored Pre-proline 0 C--O 1.217 -0.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.273 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.89 -43.47 3.45 Favored 'Trans proline' 0 C--O 1.216 -0.583 0 O-C-N 123.784 1.413 . . . . 0.0 111.026 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.65 -38.42 80.44 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.372 -0.83 . . . . 0.0 108.83 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.45 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . . . -59.8 -39.71 85.9 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.597 -0.689 . . . . 0.0 109.407 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.525 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.5 m95 -71.31 -31.89 67.96 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.513 -0.742 . . . . 0.0 109.976 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 24' ' ' ILE . 14.4 tm-20 -66.18 -48.33 71.07 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.316 -0.865 . . . . 0.0 109.085 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.19 -40.8 87.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.066 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 126' ' ' ILE . 70.7 t -68.06 -31.38 51.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 121.625 -0.672 . . . . 0.0 109.478 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 23.7 ttp85 -67.38 -47.22 71.0 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.45 -0.782 . . . . 0.0 109.122 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.24 72.31 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -73.22 -31.5 64.19 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.777 -0.577 . . . . 0.0 109.844 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 143' ' ' VAL . 19.6 mm -79.01 -34.11 16.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.289 -0.882 . . . . 0.0 109.6 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.53 ' HA ' HD13 ' A' ' 18' ' ' LEU . 27.3 ttm -73.26 -37.01 66.47 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -72.49 -48.54 39.83 Favored 'General case' 0 C--O 1.209 -1.041 0 O-C-N 121.69 -0.631 . . . . 0.0 109.357 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.627 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 88.9 p -63.76 -38.32 90.67 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.795 -0.565 . . . . 0.0 109.75 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.621 ' HB3' HD21 ' A' ' 15' ' ' LEU . 21.9 t80 -72.06 -37.43 69.65 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.493 -0.754 . . . . 0.0 109.8 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 87.7 p -69.22 -35.63 76.39 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 108.742 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.719 HD22 ' HG3' ' A' ' 40' ' ' GLN . 45.3 mt -64.39 -39.15 93.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.591 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 73.8 m -72.43 -30.1 64.31 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.69 -0.631 . . . . 0.0 110.198 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.637 HG21 ' HB2' ' A' ' 11' ' ' SER . 80.4 p -98.09 0.9 46.99 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.376 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--O 1.212 -0.918 0 O-C-N 121.04 -1.037 . . . . 0.0 110.301 179.559 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 C--O 1.216 -0.684 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -71.77 -36.59 70.41 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.397 -0.814 . . . . 0.0 109.476 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 32.0 mmt180 -75.19 -36.61 61.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.561 -0.712 . . . . 0.0 109.727 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.465 HG23 ' CE1' ' A' ' 84' ' ' PHE . 94.3 m -69.14 -45.68 69.52 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.313 -0.867 . . . . 0.0 109.377 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 151' ' ' PHE . 88.4 mt -68.99 -37.97 79.05 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.709 -0.62 . . . . 0.0 110.41 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.499 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 18.1 ptm -66.39 -30.99 71.49 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.0 -1.063 . . . . 0.0 109.225 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 84' ' ' PHE . 49.8 mt -66.35 -40.9 90.11 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 15' ' ' LEU . 78.2 mt -60.66 -35.89 77.33 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.709 -0.619 . . . . 0.0 109.464 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.24 75.81 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.563 -0.711 . . . . 0.0 109.645 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -65.83 -33.38 75.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.465 -0.772 . . . . 0.0 109.941 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.8 mtp -63.86 -35.59 81.14 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.515 -0.74 . . . . 0.0 109.532 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -48.89 113.16 0.73 Allowed 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.846 -0.534 . . . . 0.0 109.988 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -96.35 -36.18 10.95 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.615 -0.678 . . . . 0.0 109.36 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.934 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.3 pt -113.31 170.53 4.31 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 CA-C-O 121.522 0.677 . . . . 0.0 109.844 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.0 m -96.13 148.97 22.13 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.652 -0.655 . . . . 0.0 109.235 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -64.44 -31.51 72.75 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -68.4 -38.02 80.89 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -66.1 -28.15 68.59 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.934 ' SG ' HD12 ' A' ' 24' ' ' ILE . 20.3 m -108.71 50.21 0.79 Allowed 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.456 -0.777 . . . . 0.0 110.112 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -82.38 -0.99 48.48 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.203 -0.936 . . . . 0.0 109.825 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -79.27 -24.02 43.24 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.436 -0.79 . . . . 0.0 109.181 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.698 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.6 m-20 -112.41 25.82 11.14 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.679 -0.638 . . . . 0.0 109.91 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.5 123.18 16.58 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.111 -0.993 . . . . 0.0 109.21 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -151.86 126.53 9.54 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.527 -0.733 . . . . 0.0 109.041 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -91.67 114.24 26.72 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.673 ' CE1' ' HA ' ' A' ' 126' ' ' ILE . 79.7 m-85 -69.41 -43.72 72.84 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.529 -0.732 . . . . 0.0 110.267 -178.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.53 66.45 0.67 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 150' ' ' SER . 82.4 t80 -65.42 128.51 93.86 Favored Pre-proline 0 C--O 1.217 -0.623 0 O-C-N 121.662 -0.905 . . . . 0.0 108.834 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.643 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 53.0 Cg_endo -75.57 68.74 6.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.678 1.357 . . . . 0.0 110.827 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.572 ' OE1' HD22 ' A' ' 153' ' ' LEU . 20.2 tt0 -71.42 -17.07 62.41 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.415 -0.803 . . . . 0.0 109.662 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.5 -29.44 64.31 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.34 -0.85 . . . . 0.0 109.0 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.587 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.0 tp10 -99.69 31.44 3.21 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.413 -0.805 . . . . 0.0 109.284 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 38.7 m-85 . . . . . 0 C--O 1.217 -0.643 0 O-C-N 121.338 -0.851 . . . . 0.0 109.083 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.561 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 36.3 p . . . . . 0 C--O 1.205 -1.289 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 36.2 mt -46.69 -50.86 40.81 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 120.946 -1.096 . . . . 0.0 111.014 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.97 -31.86 45.86 Favored 'Trans proline' 0 C--N 1.354 0.828 0 O-C-N 123.258 1.136 . . . . 0.0 110.252 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.631 HG11 ' CZ ' ' A' ' 43' ' ' PHE . 46.3 t -70.47 -47.22 66.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.583 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 35.0 mt -62.36 -31.44 72.09 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -66.01 -46.99 75.93 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.445 -0.784 . . . . 0.0 109.658 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 116' ' ' ILE . 30.1 tp10 -72.34 -30.15 64.48 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.304 -0.873 . . . . 0.0 109.842 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.7 ttt -67.27 -48.05 68.87 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.279 -0.888 . . . . 0.0 108.982 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.77 HG23 ' CD2' ' A' ' 88' ' ' LEU . 16.8 mt -71.81 -21.31 20.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.669 -0.644 . . . . 0.0 109.42 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -74.84 -36.09 62.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.66 -33.94 64.7 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 67' ' ' PHE . 82.5 mt -74.98 -29.09 21.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.631 ' HA ' HD13 ' A' ' 88' ' ' LEU . 23.1 t80 -64.94 -49.39 70.54 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 121.406 -0.809 . . . . 0.0 109.464 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.692 ' O ' HG23 ' A' ' 69' ' ' THR . 7.2 m120 -79.04 -32.21 44.88 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.534 -0.729 . . . . 0.0 109.745 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 130' ' ' LEU . 49.6 tp -61.89 -32.24 72.6 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.514 -0.742 . . . . 0.0 109.364 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 63' ' ' ILE . 16.8 m-85 -97.9 -25.1 15.12 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.611 -0.681 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.0 t -75.72 -20.09 58.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.295 -0.878 . . . . 0.0 109.835 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 65' ' ' ASN . 7.3 p -54.05 148.56 10.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.402 -0.811 . . . . 0.0 109.799 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.73 -26.53 68.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.609 -0.682 . . . . 0.0 109.817 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.1 p30 -73.76 -26.32 60.59 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.589 -0.695 . . . . 0.0 110.013 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' A' ' 67' ' ' PHE . 23.0 t -94.12 -31.92 13.97 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.214 -0.929 . . . . 0.0 109.495 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 67.2 m -63.47 -34.51 77.93 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.247 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.9 -27.35 33.45 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.39 85.28 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.586 -0.696 . . . . 0.0 110.029 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 23' ' ' LYS . 70.0 m95 -111.98 172.59 6.81 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.725 -0.609 . . . . 0.0 109.932 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.62 132.22 47.11 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -65.1 -28.29 69.34 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.495 -0.753 . . . . 0.0 110.619 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.7 m -79.24 -43.73 23.18 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.079 -1.013 . . . . 0.0 108.996 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.6 -35.66 81.25 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 81' ' ' LEU . 10.8 mt -72.87 -33.48 66.11 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -55.81 -52.38 64.2 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -63.98 -34.27 77.6 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.779 ' CE2' HD11 ' A' ' 88' ' ' LEU . 27.2 t80 -65.05 -31.19 72.29 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.751 -0.593 . . . . 0.0 109.773 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -73.19 -37.68 66.41 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.165 -0.959 . . . . 0.0 108.753 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.2 m -69.62 -35.69 75.48 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.509 -0.744 . . . . 0.0 109.768 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -73.63 -34.23 64.9 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 84' ' ' PHE . 77.1 mt -68.96 -44.2 73.43 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.644 -0.66 . . . . 0.0 109.654 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.539 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.3 t80 -74.94 -27.32 60.15 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.577 -0.702 . . . . 0.0 109.795 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -68.59 -50.48 51.3 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.14 -30.05 70.47 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 15.0 mt -68.33 -34.22 75.71 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.42 -0.8 . . . . 0.0 109.35 178.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -68.75 -42.16 77.91 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.454 -0.779 . . . . 0.0 109.076 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.56 -41.42 84.24 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.517 -0.739 . . . . 0.0 109.337 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.527 HD23 HG23 ' A' ' 53' ' ' ILE . 79.8 mt . . . . . 0 C--O 1.215 -0.732 0 O-C-N 121.724 -0.61 . . . . 0.0 109.705 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 35.7 t0 . . . . . 0 C--O 1.216 -0.672 0 CA-C-O 120.859 0.361 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.587 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 12.7 p -62.55 -43.64 98.32 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.384 -0.823 . . . . 0.0 109.926 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.615 HG12 ' HA ' ' A' ' 55' ' ' VAL . 64.6 mt -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.577 -0.702 . . . . 0.0 109.137 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.8 tt -65.48 -34.92 79.4 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.75 -48.7 70.98 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.8 t -65.31 -26.76 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 120' ' ' ARG . 7.3 tmm_? -68.08 -48.48 65.43 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.26 -0.9 . . . . 0.0 109.711 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 118' ' ' ALA . 21.9 pttp -69.46 -25.46 64.1 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.247 -0.908 . . . . 0.0 109.345 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.729 ' CE2' HD11 ' A' ' 126' ' ' ILE . 76.2 t80 -67.87 -52.6 34.69 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.451 -0.781 . . . . 0.0 109.118 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.411 ' HA ' HD12 ' A' ' 126' ' ' ILE . 28.0 m-85 -67.87 -27.13 66.41 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.639 -0.663 . . . . 0.0 109.783 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.33 -42.72 99.0 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -64.88 -36.77 85.42 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.729 HD11 ' CE2' ' A' ' 122' ' ' TYR . 61.8 mt -64.53 -37.93 81.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 121.476 -0.765 . . . . 0.0 109.419 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 21.7 m -66.94 -40.86 87.69 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.497 -0.752 . . . . 0.0 109.903 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.3 mm? -71.39 -35.47 71.05 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.454 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 46.1 t80 -64.41 -39.68 94.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.324 -0.86 . . . . 0.0 108.938 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.53 HD22 ' CE2' ' A' ' 140' ' ' TRP . 41.9 mt -65.21 -44.57 87.9 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.3 -23.68 63.84 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.257 -0.902 . . . . 0.0 109.816 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.37 -48.38 50.46 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.323 -0.861 . . . . 0.0 109.141 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.434 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.5 mptt -82.77 2.76 32.36 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.877 -0.514 . . . . 0.0 109.809 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? 61.86 37.82 15.09 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.871 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 68.9 m-85 60.6 51.87 4.83 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.664 -0.647 . . . . 0.0 110.042 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.448 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -80.07 161.73 64.54 Favored Pre-proline 0 C--O 1.218 -0.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.455 ' O ' HD11 ' A' ' 24' ' ' ILE . 42.5 Cg_endo -68.72 -35.43 16.41 Favored 'Trans proline' 0 C--O 1.217 -0.568 0 O-C-N 123.761 1.401 . . . . 0.0 110.978 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.36 -38.54 68.52 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.388 -0.82 . . . . 0.0 109.065 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.434 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.13 -39.07 93.24 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.53 ' CE2' HD22 ' A' ' 130' ' ' LEU . 31.4 m95 -70.02 -32.88 71.25 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.57 -0.707 . . . . 0.0 109.742 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -63.52 -40.57 97.39 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.324 -0.86 . . . . 0.0 108.932 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.698 HG21 ' O ' ' A' ' 32' ' ' ASP . 59.8 t -65.24 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 147' ' ' ILE . 98.7 t -69.87 -23.52 25.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 121.735 -0.603 . . . . 0.0 109.681 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.489 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 3.7 tmm_? -70.87 -48.28 54.7 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.147 -0.97 . . . . 0.0 108.728 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.423 ' HB2' ' NH2' ' A' ' 144' ' ' ARG . . . -67.66 -32.12 72.58 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.66 -0.65 . . . . 0.0 109.299 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -74.3 -31.46 62.5 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.9 mm -81.0 -32.06 12.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 121.092 -1.005 . . . . 0.0 109.683 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 29.0 ttm -73.95 -38.98 64.07 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 149' ' ' ARG . 0.9 OUTLIER -71.07 -49.69 41.92 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.715 -0.616 . . . . 0.0 109.421 179.34 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.3 m -59.94 -44.57 94.3 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.773 ' HB3' HD21 ' A' ' 15' ' ' LEU . 28.9 t80 -62.81 -42.21 99.62 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.526 -0.734 . . . . 0.0 109.177 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 28.1 t -63.84 -34.1 77.18 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.461 -0.774 . . . . 0.0 109.381 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.572 HD22 ' OE1' ' A' ' 40' ' ' GLN . 84.7 mt -69.74 -37.15 76.38 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.691 -0.63 . . . . 0.0 109.563 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 11.1 m -70.27 -25.72 63.48 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.584 -0.697 . . . . 0.0 109.835 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.509 HG21 ' CE1' ' A' ' 151' ' ' PHE . 69.2 p -104.19 1.39 30.58 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.464 -0.773 . . . . 0.0 109.726 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 152' ' ' SER . 43.8 t30 . . . . . 0 CA--C 1.543 0.704 0 O-C-N 121.189 -0.945 . . . . 0.0 110.57 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.607 ' HB2' HG21 ' A' ' 155' ' ' THR . 67.6 p . . . . . 0 C--O 1.217 -0.611 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -67.94 -35.37 78.32 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 11.4 tpp85 -71.14 -37.16 72.28 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.381 -0.824 . . . . 0.0 109.221 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.4 m -62.76 -45.75 91.22 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.494 -0.754 . . . . 0.0 109.022 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 151' ' ' PHE . 98.8 mt -68.82 -32.31 71.93 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.716 -0.615 . . . . 0.0 109.448 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.2 ttp -64.09 -38.94 92.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.778 HD13 ' HA ' ' A' ' 84' ' ' PHE . 92.1 mt -60.7 -43.96 97.14 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 15' ' ' LEU . 48.9 mt -57.89 -42.15 84.06 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.828 -0.545 . . . . 0.0 109.902 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.54 96.59 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.523 -0.736 . . . . 0.0 109.71 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -67.08 -32.12 73.08 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.942 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.486 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 23.8 mtm -71.98 -23.92 61.5 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -41.59 127.68 3.12 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.586 -0.696 . . . . 0.0 110.757 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -102.8 -28.36 12.12 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.835 -0.54 . . . . 0.0 110.006 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.762 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -143.49 168.86 11.85 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 O-C-N 121.268 -0.895 . . . . 0.0 110.812 -177.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -84.09 139.61 32.36 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 30' ' ' LEU . 56.2 tp -56.72 -38.4 72.29 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.668 -0.645 . . . . 0.0 109.416 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.767 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 96.7 m-85 -59.29 -41.56 89.22 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.91 -34.35 74.54 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.762 ' SG ' HD12 ' A' ' 24' ' ' ILE . 73.6 m -99.32 50.55 0.94 Allowed 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.649 -0.657 . . . . 0.0 109.551 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.767 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -81.75 4.26 22.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 179.14 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -94.76 -26.7 16.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.268 -0.895 . . . . 0.0 109.262 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.716 ' O ' HG21 ' A' ' 142' ' ' VAL . 42.3 m-20 -112.78 22.93 13.99 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.444 -0.785 . . . . 0.0 110.353 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.584 ' HD3' HD12 ' A' ' 30' ' ' LEU . 40.8 ptt85 -86.3 110.11 19.42 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.895 -1.128 . . . . 0.0 109.39 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -137.3 136.29 37.87 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.437 -0.79 . . . . 0.0 109.239 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.28 119.58 21.83 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -73.47 -52.31 14.11 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.575 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.13 64.86 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 74.5 t80 -64.12 129.25 93.89 Favored Pre-proline 0 C--O 1.217 -0.611 0 O-C-N 121.565 -0.962 . . . . 0.0 108.811 178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.655 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.4 Cg_endo -75.42 66.28 6.38 Favored 'Trans proline' 0 C--N 1.351 0.664 0 O-C-N 123.712 1.375 . . . . 0.0 110.977 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.734 ' HG3' HD22 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -71.8 -19.74 61.95 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.385 -0.822 . . . . 0.0 109.99 179.627 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -58.45 -28.29 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.151 -0.968 . . . . 0.0 108.921 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HG3' ' HB3' ' A' ' 115' ' ' SER . 6.1 tp10 -98.92 33.71 2.28 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 177.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 20.8 m-85 . . . . . 0 C--O 1.214 -0.806 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.504 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 12.2 t . . . . . 0 C--O 1.214 -0.815 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.633 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 83.1 mt -56.9 -46.16 99.89 Favored Pre-proline 0 C--O 1.216 -0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.7 Cg_endo -64.15 -29.59 65.01 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.201 1.106 . . . . 0.0 110.19 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.649 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.5 t -73.76 -34.54 40.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 22.0 mt -68.05 -38.46 82.5 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.451 -0.781 . . . . 0.0 109.071 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -65.59 -48.63 71.67 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.623 -0.673 . . . . 0.0 109.784 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.579 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.7 mp0 -71.77 -28.21 63.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.315 -0.866 . . . . 0.0 110.253 -179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.451 ' HG3' HG11 ' A' ' 119' ' ' VAL . 10.2 ttt -71.59 -39.22 70.67 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.021 -1.05 . . . . 0.0 109.059 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.606 HG23 HD22 ' A' ' 88' ' ' LEU . 12.5 mt -73.11 -22.05 19.38 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.392 -0.818 . . . . 0.0 109.127 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.404 HE21 HD13 ' A' ' 92' ' ' LEU . 66.6 mm-40 -70.01 -38.72 76.02 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 175.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -69.58 -38.23 77.26 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.796 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.493 HG23 ' CE1' ' A' ' 67' ' ' PHE . 78.5 mt -70.97 -34.95 57.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.303 -0.873 . . . . 0.0 108.71 178.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.618 ' HA ' HD13 ' A' ' 88' ' ' LEU . 46.6 t80 -60.17 -44.12 95.29 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.652 -0.655 . . . . 0.0 109.649 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.731 ' O ' HG23 ' A' ' 69' ' ' THR . 43.0 t30 -78.45 -38.7 40.59 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.902 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.463 HD11 HD11 ' A' ' 130' ' ' LEU . 28.9 tp -58.81 -32.44 69.36 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.427 -0.796 . . . . 0.0 109.553 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.493 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.4 m-85 -95.2 -26.14 16.1 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.894 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.8 t -75.54 -18.41 59.79 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.289 -0.882 . . . . 0.0 110.221 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 65' ' ' ASN . 28.5 p -52.39 147.21 8.34 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.355 -0.841 . . . . 0.0 109.888 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -60.18 -25.33 65.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.485 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.3 m-20 -74.09 -44.2 54.91 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.44 -0.787 . . . . 0.0 109.562 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.469 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.6 t -74.3 -31.06 62.35 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.381 -0.824 . . . . 0.0 109.785 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.511 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.6 m -65.35 -32.53 74.22 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.55 -0.718 . . . . 0.0 109.42 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.73 -26.83 25.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.51 82.34 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.705 -0.622 . . . . 0.0 109.893 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -116.0 167.86 10.59 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.705 -0.622 . . . . 0.0 109.51 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -65.6 132.09 47.97 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.53 -27.72 69.35 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.487 -0.758 . . . . 0.0 110.339 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -77.88 -44.46 27.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.232 -0.917 . . . . 0.0 108.723 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 81.3 mt -62.86 -38.85 92.47 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.7 -33.48 70.94 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.74 -49.87 71.94 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 83' ' ' LYS . 14.4 mmmm -65.87 -36.03 82.28 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.778 ' HA ' HD13 ' A' ' 17' ' ' LEU . 31.6 t80 -64.53 -28.46 69.66 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.732 -0.605 . . . . 0.0 109.866 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -76.29 -43.34 42.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.988 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -66.31 -32.08 73.26 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.721 -0.612 . . . . 0.0 109.571 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -77.69 -34.02 53.04 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.398 -0.814 . . . . 0.0 109.08 178.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.727 HD11 ' CE2' ' A' ' 84' ' ' PHE . 43.4 mt -65.22 -39.91 93.38 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.341 -0.849 . . . . 0.0 108.895 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.525 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -75.7 -32.96 60.3 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.574 -0.704 . . . . 0.0 109.916 179.298 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -64.48 -47.57 78.46 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.035 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -69.12 -25.34 64.35 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.5 mt -72.09 -34.44 68.66 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -73.77 -35.49 64.98 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.303 -0.873 . . . . 0.0 109.088 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -68.64 -43.44 76.28 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 56' ' ' LEU . 62.0 mt . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 121.025 0.44 . . . . 0.0 110.39 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.215 -0.734 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.585 ' HB3' ' HG3' ' A' ' 42' ' ' GLU . 2.3 p -66.4 -45.06 81.23 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 108.908 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.649 HG12 ' HA ' ' A' ' 55' ' ' VAL . 79.1 mt -67.63 -36.52 76.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 117' ' ' LEU . 19.6 mt -65.03 -33.31 75.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.783 -0.573 . . . . 0.0 109.649 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.655 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.9 -45.98 79.99 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.451 HG11 ' HG3' ' A' ' 59' ' ' MET . 77.5 t -65.77 -28.77 44.96 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.5 -42.91 77.92 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.169 -0.957 . . . . 0.0 109.634 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 121' ' ' LYS . 3.2 tppp? -72.96 -31.61 64.68 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.436 -0.79 . . . . 0.0 109.1 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.61 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 55.9 t80 -64.12 -47.81 78.54 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.601 -0.687 . . . . 0.0 109.368 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -71.74 -28.39 63.63 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.794 -0.566 . . . . 0.0 109.987 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -63.34 -40.56 97.65 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -67.38 -39.65 85.66 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.525 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.2 mt -60.49 -38.29 77.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 121.569 -0.707 . . . . 0.0 109.172 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 130' ' ' LEU . 56.0 m -64.81 -38.21 90.2 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 109.159 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.484 HD12 ' NZ ' ' A' ' 131' ' ' LYS . 14.5 tp -64.39 -44.33 91.67 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -58.33 -37.14 74.54 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.779 -0.575 . . . . 0.0 109.485 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' A' ' 140' ' ' TRP . 32.3 mt -70.15 -42.41 72.58 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 121.695 -0.628 . . . . 0.0 109.554 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.484 ' NZ ' HD12 ' A' ' 128' ' ' LEU . 9.8 mtmp? -71.0 -20.23 62.44 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.737 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -75.9 -51.38 12.61 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.211 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 5.3 mptp? -81.03 4.31 20.14 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.873 -0.517 . . . . 0.0 109.793 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.45 38.91 22.47 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.684 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 90.2 m-85 62.05 52.57 3.25 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.691 -0.631 . . . . 0.0 110.286 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.462 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.9 m -79.94 162.25 62.96 Favored Pre-proline 0 C--O 1.218 -0.577 0 O-C-N 121.475 -0.765 . . . . 0.0 109.329 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.3 Cg_endo -69.61 -36.64 10.82 Favored 'Trans proline' 0 C--N 1.35 0.609 0 O-C-N 123.833 1.439 . . . . 0.0 111.221 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.94 -39.31 76.16 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.351 -0.843 . . . . 0.0 109.077 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -65.6 -41.26 92.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.479 -0.763 . . . . 0.0 109.035 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.484 ' CE2' HD22 ' A' ' 130' ' ' LEU . 18.4 m95 -67.3 -38.67 85.39 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.513 -0.742 . . . . 0.0 109.939 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.34 -36.71 81.98 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.412 -0.805 . . . . 0.0 109.375 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.716 HG21 ' O ' ' A' ' 32' ' ' ASP . 41.5 t -67.54 -38.89 81.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 139' ' ' ALA . 93.8 t -71.89 -23.75 22.35 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.433 ' HD2' ' C ' ' A' ' 144' ' ' ARG . 4.5 tmm_? -67.72 -48.84 65.37 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.54 75.94 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.662 -0.649 . . . . 0.0 109.413 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.08 -35.3 76.36 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.54 -0.725 . . . . 0.0 109.915 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 mm -77.27 -31.89 18.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.459 -0.776 . . . . 0.0 109.655 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.509 ' HG3' HD22 ' A' ' 15' ' ' LEU . 34.6 ttm -73.09 -37.59 66.7 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.392 -0.818 . . . . 0.0 108.84 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 149' ' ' ARG . 17.4 tpp180 -71.03 -49.86 40.31 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 121.611 -0.681 . . . . 0.0 109.357 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.56 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 73.5 p -61.2 -42.03 97.87 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.962 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.921 ' HB3' HD21 ' A' ' 15' ' ' LEU . 64.6 t80 -68.46 -34.89 76.75 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.383 -0.823 . . . . 0.0 109.645 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 32.5 t -68.82 -39.0 80.24 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 108.797 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.734 HD22 ' HG3' ' A' ' 40' ' ' GLN . 32.2 mt -63.28 -41.15 98.98 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.613 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.9 m -66.12 -36.51 83.35 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.982 -0.449 . . . . 0.0 110.363 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 11' ' ' SER . 69.2 p -94.79 0.81 55.22 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.184 -0.947 . . . . 0.0 110.652 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 152' ' ' SER . 47.4 t30 . . . . . 0 C--O 1.212 -0.872 0 O-C-N 121.077 -1.015 . . . . 0.0 110.969 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.914 ' HB3' HG21 ' A' ' 155' ' ' THR . 55.3 m . . . . . 0 C--O 1.217 -0.639 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 9.7 tpt180 -64.23 -37.73 88.53 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.531 -0.73 . . . . 0.0 109.3 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 38.5 mmm-85 -67.82 -31.26 70.99 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.281 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -62.96 -44.32 96.36 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.939 HD21 ' HB3' ' A' ' 151' ' ' PHE . 82.9 mt -70.57 -33.6 71.27 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.733 -0.604 . . . . 0.0 109.577 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttp -64.15 -37.55 87.87 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.345 -0.847 . . . . 0.0 108.846 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.784 HD13 ' HA ' ' A' ' 84' ' ' PHE . 78.3 mt -63.06 -45.61 91.38 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 15' ' ' LEU . 76.4 mt -57.38 -39.32 75.81 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.865 -0.522 . . . . 0.0 109.961 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.3 95.1 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.455 -0.778 . . . . 0.0 109.892 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -66.89 -24.65 66.13 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.449 -0.782 . . . . 0.0 110.382 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.534 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 19.6 mtm -77.47 -19.96 55.15 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 121.15 -0.969 . . . . 0.0 110.599 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -50.35 124.59 10.8 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.094 -1.004 . . . . 0.0 110.791 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.3 mptm? -103.08 -34.15 8.99 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.886 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.5 pt -130.81 171.19 18.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 121.571 0.701 . . . . 0.0 110.462 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -91.3 145.47 24.62 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD21 ' HE ' ' A' ' 33' ' ' ARG . 59.9 tp -59.9 -35.66 75.34 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.581 -0.699 . . . . 0.0 109.14 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.727 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 85.6 m-85 -63.5 -40.51 97.27 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 t -60.19 -28.01 67.62 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.886 ' SG ' HD12 ' A' ' 24' ' ' ILE . 55.4 m -107.02 51.96 0.73 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.66 -0.65 . . . . 0.0 109.691 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.727 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -80.78 3.7 21.52 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.276 -0.89 . . . . 0.0 109.979 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -88.17 -30.1 20.02 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.278 -0.889 . . . . 0.0 108.657 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.669 ' O ' HG21 ' A' ' 142' ' ' VAL . 3.4 m-20 -111.33 18.04 19.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.792 -0.568 . . . . 0.0 110.023 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HE ' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -71.36 107.62 4.4 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.005 -1.06 . . . . 0.0 108.82 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -144.36 129.62 18.75 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.7 129.36 34.41 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.514 -0.741 . . . . 0.0 109.202 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 61.7 m-85 -80.19 -34.42 37.45 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.465 -0.772 . . . . 0.0 109.761 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.05 77.07 1.25 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.476 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 88.7 t80 -76.91 130.16 76.67 Favored Pre-proline 0 C--O 1.218 -0.593 0 O-C-N 121.515 -0.991 . . . . 0.0 109.184 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.566 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.2 Cg_endo -80.75 70.48 7.51 Favored 'Trans proline' 0 C--N 1.352 0.712 0 O-C-N 123.743 1.391 . . . . 0.0 110.955 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.646 ' OE1' HD22 ' A' ' 153' ' ' LEU . 13.2 tt0 -72.0 -16.93 62.08 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.325 -0.86 . . . . 0.0 109.615 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -56.43 -33.37 65.79 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.246 -0.908 . . . . 0.0 108.671 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.657 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 1.3 tp10 -92.37 29.02 1.78 Allowed 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.426 -0.796 . . . . 0.0 109.644 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.626 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 40.0 m-85 . . . . . 0 C--O 1.218 -0.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.511 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.508 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.21 -0.996 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.767 HG23 HD23 ' A' ' 95' ' ' LEU . 23.4 mt -50.48 -47.9 82.85 Favored Pre-proline 0 C--O 1.216 -0.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.999 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.4 Cg_endo -64.11 -33.62 60.72 Favored 'Trans proline' 0 C--N 1.354 0.861 0 O-C-N 123.15 1.079 . . . . 0.0 110.545 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.626 ' CG1' ' CZ ' ' A' ' 43' ' ' PHE . 47.3 t -70.98 -42.79 77.01 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.593 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 44.0 mt -64.75 -30.89 71.91 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.0 -47.09 66.39 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.452 -0.78 . . . . 0.0 109.694 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.808 ' HG3' HD13 ' A' ' 116' ' ' ILE . 81.6 mm-40 -74.18 -28.22 61.18 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.408 ' CG ' HG11 ' A' ' 119' ' ' VAL . 9.9 ttt -73.8 -43.39 59.01 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.202 -0.936 . . . . 0.0 109.242 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.483 HG12 ' HE1' ' A' ' 151' ' ' PHE . 10.1 mt -71.77 -22.34 21.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.41 -0.806 . . . . 0.0 109.137 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -38.11 65.43 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.92 -40.51 83.35 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.608 HG23 ' CE1' ' A' ' 67' ' ' PHE . 66.4 mt -67.72 -34.61 68.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.555 ' HA ' HD13 ' A' ' 88' ' ' LEU . 25.1 t80 -56.9 -48.84 77.26 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.686 -0.634 . . . . 0.0 109.777 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.777 ' O ' HG23 ' A' ' 69' ' ' THR . 6.7 m120 -76.98 -34.78 57.53 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.497 -0.752 . . . . 0.0 109.945 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 130' ' ' LEU . 50.8 tp -59.45 -33.49 71.35 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.516 -0.74 . . . . 0.0 109.779 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.608 ' CE1' HG23 ' A' ' 63' ' ' ILE . 60.1 m-85 -99.09 -23.18 15.35 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.534 -0.728 . . . . 0.0 110.09 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -75.36 -19.88 59.31 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.217 -0.927 . . . . 0.0 110.222 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 65' ' ' ASN . 37.8 p -54.76 149.44 11.16 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.088 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -22.94 67.14 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.649 -0.657 . . . . 0.0 109.771 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.526 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.2 m-20 -74.85 -37.5 62.2 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.455 -0.778 . . . . 0.0 109.441 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.404 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 15.4 t -78.36 -31.34 48.49 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.485 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.599 ' HA ' HD12 ' A' ' 81' ' ' LEU . 99.2 p -68.3 -33.56 74.55 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 121.593 -0.692 . . . . 0.0 109.534 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.6 -17.49 44.58 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.29 31.68 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 69.3 m95 -118.59 170.77 8.68 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.718 -0.614 . . . . 0.0 109.733 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.482 ' HB2' HD12 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -61.78 130.53 46.21 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -66.16 -28.22 68.61 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.453 -0.78 . . . . 0.0 110.233 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -77.97 -44.8 25.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.136 -0.978 . . . . 0.0 108.738 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 77' ' ' ASP . 95.7 mt -62.58 -38.07 88.68 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.4 -33.61 69.63 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.87 -53.42 56.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 75.7 mmtt -65.19 -35.61 81.61 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.795 ' CE2' HD11 ' A' ' 88' ' ' LEU . 45.0 t80 -62.56 -29.18 70.39 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.795 -0.566 . . . . 0.0 109.514 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.0 m-85 -74.67 -42.26 58.79 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.216 -0.928 . . . . 0.0 109.108 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.8 m -65.41 -34.28 77.93 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.734 -0.604 . . . . 0.0 109.803 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.39 -34.61 65.62 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.411 -0.806 . . . . 0.0 109.364 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.795 HD11 ' CE2' ' A' ' 84' ' ' PHE . 68.8 mt -69.65 -40.6 76.38 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.555 -0.716 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.529 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.0 t80 -76.17 -32.1 58.87 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.493 -0.754 . . . . 0.0 109.921 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -51.88 59.88 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.67 -30.26 71.39 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 11.7 mt -68.93 -33.17 73.29 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.646 -0.659 . . . . 0.0 109.694 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -70.09 -42.42 72.76 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.233 -0.917 . . . . 0.0 109.36 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.51 -47.05 74.2 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.434 -0.791 . . . . 0.0 109.048 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.767 HD23 HG23 ' A' ' 53' ' ' ILE . 82.0 mt . . . . . 0 C--O 1.216 -0.661 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.583 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.213 -0.834 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.657 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 13.3 p -68.29 -45.07 74.08 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.053 -1.029 . . . . 0.0 108.41 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.808 HD13 ' HG3' ' A' ' 58' ' ' GLU . 71.5 mt -69.73 -37.37 73.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.41 -30.71 71.75 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -66.18 -49.58 66.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' A' ' 59' ' ' MET . 72.7 t -63.14 -27.35 42.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.921 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -69.39 -41.23 76.75 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.47 -38.28 77.65 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.392 -0.817 . . . . 0.0 109.247 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.767 ' CE2' HD11 ' A' ' 126' ' ' ILE . 39.1 t80 -64.44 -46.82 81.52 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.39 -23.8 61.95 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.713 -0.617 . . . . 0.0 109.997 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -66.97 -39.59 87.26 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -69.45 -37.15 77.21 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.767 HD11 ' CE2' ' A' ' 122' ' ' TYR . 59.8 mt -65.23 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 O-C-N 121.484 -0.76 . . . . 0.0 109.497 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 58.7 m -67.11 -42.97 83.64 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.499 -0.751 . . . . 0.0 109.68 -178.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 128' ' ' LEU . 11.3 tp -67.48 -35.92 80.11 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.489 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 26.0 t80 -59.96 -40.71 89.94 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 66' ' ' LEU . 41.8 mt -68.83 -38.72 80.04 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 127' ' ' THR . 2.0 mmmp? -69.11 -27.58 65.71 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.055 -1.028 . . . . 0.0 109.387 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 1.8 tm-20 -70.48 -57.45 4.77 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.501 -0.75 . . . . 0.0 109.031 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.7 mptp? -75.98 -0.16 20.62 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 134' ' ' LYS . 29.4 mmmt 58.02 47.07 15.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.377 -0.827 . . . . 0.0 109.655 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.526 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 99.4 m-85 58.11 54.9 5.54 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 121.376 0.608 . . . . 0.0 110.339 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.455 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -81.69 162.02 59.36 Favored Pre-proline 0 C--O 1.217 -0.635 0 O-C-N 121.377 -0.827 . . . . 0.0 109.368 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.6 Cg_endo -68.66 -38.3 10.89 Favored 'Trans proline' 0 C--N 1.35 0.62 0 O-C-N 123.8 1.421 . . . . 0.0 111.372 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.35 -38.53 68.55 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -64.81 -37.6 88.15 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.418 -0.801 . . . . 0.0 108.965 178.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.404 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.2 m95 -69.69 -34.13 73.5 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 121.529 -0.732 . . . . 0.0 109.641 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.89 -46.39 85.07 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.338 -0.851 . . . . 0.0 109.319 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.669 HG21 ' O ' ' A' ' 32' ' ' ASP . 53.0 t -62.9 -38.5 82.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 139' ' ' ALA . 64.0 t -72.36 -25.55 23.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 O-C-N 121.593 -0.692 . . . . 0.0 109.705 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -46.35 66.49 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.185 -0.947 . . . . 0.0 109.044 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.82 71.19 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.453 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 44.9 mm-40 -69.16 -36.08 77.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.604 -0.685 . . . . 0.0 109.855 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 67' ' ' PHE . 14.7 mm -76.57 -33.24 22.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.287 -0.883 . . . . 0.0 109.739 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.2 ttm -72.22 -39.94 68.17 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -74.09 -42.2 60.5 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.391 -0.818 . . . . 0.0 109.736 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.8 m -66.01 -40.2 90.9 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.441 -0.787 . . . . 0.0 109.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.939 ' HB3' HD21 ' A' ' 15' ' ' LEU . 60.1 t80 -64.86 -38.67 91.76 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.486 -0.759 . . . . 0.0 109.271 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.4 t -65.47 -38.53 90.08 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.646 HD22 ' OE1' ' A' ' 40' ' ' GLN . 72.2 mt -64.04 -31.2 72.3 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 109.824 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.593 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 41.4 m -79.94 -27.73 39.76 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.288 -0.883 . . . . 0.0 110.055 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.914 HG21 ' HB3' ' A' ' 11' ' ' SER . 76.6 p -96.61 -0.61 48.34 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.371 -0.831 . . . . 0.0 110.632 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.063 . . . . 0.0 110.243 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.7 p . . . . . 0 C--O 1.215 -0.719 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 tpt85 -66.12 -35.47 80.58 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.555 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 19.7 mmt85 -70.24 -33.56 71.79 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.446 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -69.37 -41.45 76.5 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.191 -0.943 . . . . 0.0 108.785 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.777 HD21 ' HB3' ' A' ' 151' ' ' PHE . 87.7 mt -70.52 -33.35 71.08 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.664 -0.647 . . . . 0.0 110.363 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.555 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.2 ptm -70.53 -31.13 68.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.794 -1.191 . . . . 0.0 108.903 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.798 HD13 ' HA ' ' A' ' 84' ' ' PHE . 96.8 mt -62.67 -43.37 98.98 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.577 HD12 HD23 ' A' ' 15' ' ' LEU . 75.6 mt -58.75 -43.16 90.23 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.3 74.82 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.527 -0.733 . . . . 0.0 109.656 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.94 -29.43 65.45 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.511 -0.743 . . . . 0.0 109.58 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.533 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 55.6 mtp -73.54 -19.3 60.94 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.484 -0.76 . . . . 0.0 110.8 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttp85 -71.77 110.21 6.16 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.888 -1.132 . . . . 0.0 109.208 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -90.36 -36.97 14.33 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.549 -0.72 . . . . 0.0 109.687 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.872 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -109.81 161.4 8.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 121.732 0.777 . . . . 0.0 110.425 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.1 m -83.04 144.09 30.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 63.3 tp -62.4 -35.27 78.7 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 121.545 -0.722 . . . . 0.0 109.462 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.835 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 62.2 m-85 -66.14 -39.25 89.7 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.371 -0.831 . . . . 0.0 108.897 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -59.41 -40.19 85.89 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.872 ' SG ' HD12 ' A' ' 24' ' ' ILE . 18.0 m -111.74 51.15 0.8 Allowed 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.835 ' HB3' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -108.96 7.96 26.15 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.524 -176.318 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -82.62 -33.53 27.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -99.74 17.21 21.22 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.58 -0.7 . . . . 0.0 110.124 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.561 ' NH1' HD12 ' A' ' 30' ' ' LEU . 33.4 ptt180 -82.13 151.52 26.94 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 120.872 -1.142 . . . . 0.0 110.941 -177.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CE1' ' CE1' ' A' ' 129' ' ' TYR . 13.8 p-80 177.2 149.44 0.15 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.73 126.98 31.64 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.317 -0.865 . . . . 0.0 109.285 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.559 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 78.4 m-85 -70.92 -35.99 72.49 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.543 -0.723 . . . . 0.0 109.556 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.05 55.72 0.1 OUTLIER Glycine 0 C--O 1.217 -0.954 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 87.3 t80 -68.76 124.89 91.18 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.47 -1.018 . . . . 0.0 108.754 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.532 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 54.3 Cg_endo -78.68 66.47 8.6 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 O-C-N 123.879 1.462 . . . . 0.0 111.052 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.859 ' HG3' HD22 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -70.32 -20.88 62.97 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.268 -0.895 . . . . 0.0 109.618 178.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -59.81 -31.0 69.3 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -93.06 22.31 5.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.492 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 11.3 m-85 . . . . . 0 C--O 1.217 -0.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.447 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.57 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 6.4 p . . . . . 0 C--O 1.206 -1.233 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 62.5 mt -42.68 -51.4 12.01 Favored Pre-proline 0 N--CA 1.476 0.872 0 O-C-N 121.42 -0.8 . . . . 0.0 111.755 -178.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.3 Cg_endo -65.37 -35.49 39.64 Favored 'Trans proline' 0 C--N 1.354 0.83 0 O-C-N 123.1 1.053 . . . . 0.0 110.565 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.1 t -71.7 -31.88 43.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.592 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.4 mt -73.18 -29.95 63.19 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.436 ' O ' HD21 ' A' ' 92' ' ' LEU . 56.3 t-80 -68.15 -46.57 70.41 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.456 -0.777 . . . . 0.0 109.027 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.87 ' HG3' HD13 ' A' ' 116' ' ' ILE . 61.3 mm-40 -76.92 -26.96 54.68 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.345 -0.847 . . . . 0.0 109.802 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -45.45 74.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 108.626 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 88' ' ' LEU . 5.6 mt -73.67 -23.23 19.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 121.766 -0.584 . . . . 0.0 109.496 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -73.24 -36.35 66.41 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -71.29 -37.76 71.83 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.647 -0.658 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.523 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.8 mt -71.81 -32.87 46.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.581 ' HA ' HD13 ' A' ' 88' ' ' LEU . 27.3 t80 -60.8 -46.37 90.79 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.484 -0.76 . . . . 0.0 109.658 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 69' ' ' THR . 19.9 t-20 -76.98 -36.89 56.1 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.591 -0.693 . . . . 0.0 109.911 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 130' ' ' LEU . 36.0 tp -61.8 -29.78 70.38 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 121.412 -0.805 . . . . 0.0 109.747 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 63' ' ' ILE . 21.4 m-85 -97.56 -25.0 15.3 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.278 -0.889 . . . . 0.0 109.947 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 8.2 t -75.33 -21.87 58.07 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.35 -0.844 . . . . 0.0 110.182 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 65' ' ' ASN . 3.6 p -53.18 148.37 8.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.383 -0.823 . . . . 0.0 110.016 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -65.45 -26.94 68.18 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.652 -0.655 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.6 p30 -71.94 -18.41 62.01 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.39 -0.819 . . . . 0.0 109.756 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.48 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.9 m -102.77 -31.77 10.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.387 -0.82 . . . . 0.0 109.619 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.557 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 70.8 m -65.12 -30.3 71.22 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.633 -0.667 . . . . 0.0 109.293 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.58 -30.68 24.82 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.99 86.03 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.523 -0.736 . . . . 0.0 110.035 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.419 ' CE3' ' O ' ' A' ' 21' ' ' MET . 69.3 m95 -114.59 175.48 5.47 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.612 -0.68 . . . . 0.0 109.698 -178.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.571 ' HB2' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -72.38 138.91 47.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.251 -0.906 . . . . 0.0 108.952 179.341 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -27.65 66.38 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.044 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -78.89 -43.91 23.89 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.229 -0.92 . . . . 0.0 108.866 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 77' ' ' ASP . 99.0 mt -63.63 -37.53 87.67 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.557 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.3 mt -72.31 -33.22 67.21 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -55.75 -53.35 57.7 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 83' ' ' LYS . 27.2 mmmt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.798 ' HA ' HD13 ' A' ' 17' ' ' LEU . 12.3 t80 -63.34 -34.34 77.5 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.602 -0.686 . . . . 0.0 109.233 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.17 -31.45 64.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.229 -0.92 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -70.12 -41.06 74.47 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.515 -0.74 . . . . 0.0 109.71 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -75.63 -30.01 59.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.163 -0.961 . . . . 0.0 109.636 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.723 HD11 ' CE2' ' A' ' 84' ' ' PHE . 75.0 mt -70.92 -37.74 72.91 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.154 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.53 -33.24 48.09 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.534 -0.729 . . . . 0.0 109.981 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -71.01 -47.59 57.86 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 109.123 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.525 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 5.5 tp60 -64.15 -34.55 78.32 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.436 HD21 ' O ' ' A' ' 57' ' ' HIS . 9.0 mt -62.92 -43.27 99.25 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.46 -53.14 61.48 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.978 -0.451 . . . . 0.0 111.391 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 91' ' ' GLN . 5.0 p-10 -65.36 -46.2 81.09 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.743 -1.223 . . . . 0.0 109.167 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 56' ' ' LEU . 85.0 mt . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 120.973 0.416 . . . . 0.0 109.96 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.216 -0.699 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.532 ' OG ' HG22 ' A' ' 55' ' ' VAL . 6.0 p -63.71 -47.56 80.63 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.41 -0.807 . . . . 0.0 109.013 178.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.87 HD13 ' HG3' ' A' ' 58' ' ' GLU . 82.4 mt -66.18 -34.91 73.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.37 -34.31 77.87 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.532 ' HB1' ' HG3' ' A' ' 39' ' ' PRO . . . -65.48 -44.83 85.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.24 -24.65 30.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -69.02 -47.08 66.33 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -28.13 65.4 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.406 -0.809 . . . . 0.0 109.395 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 58.6 t80 -67.71 -50.07 59.43 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.493 -0.755 . . . . 0.0 109.084 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.2 -25.53 62.56 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.693 -0.629 . . . . 0.0 110.217 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -65.39 -41.01 94.13 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -67.6 -38.16 83.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 122' ' ' TYR . 65.6 mt -63.84 -37.36 79.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 O-C-N 121.623 -0.673 . . . . 0.0 109.728 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.6 m -66.47 -43.37 85.67 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.164 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 128' ' ' LEU . 8.7 tp -66.55 -32.73 74.26 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.423 ' CE1' ' CE1' ' A' ' 34' ' ' HIS . 78.6 t80 -62.87 -45.37 92.89 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.731 -0.606 . . . . 0.0 109.373 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 66' ' ' LEU . 57.9 mt -63.42 -39.57 94.83 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -74.6 -18.44 60.56 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.266 -0.897 . . . . 0.0 109.7 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -77.35 -51.18 11.27 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.253 -0.905 . . . . 0.0 108.902 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -80.77 1.55 29.91 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.792 -0.568 . . . . 0.0 109.584 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.46 40.71 16.83 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.795 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 59.0 m-85 60.04 51.72 5.62 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.656 -0.653 . . . . 0.0 110.082 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.45 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -75.84 162.31 72.45 Favored Pre-proline 0 C--O 1.217 -0.613 0 O-C-N 121.392 -0.818 . . . . 0.0 109.046 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.1 Cg_endo -68.95 -42.75 3.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 O-C-N 123.65 1.342 . . . . 0.0 110.993 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 27.9 m -68.64 -39.06 80.89 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -58.78 -38.16 77.89 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.685 -0.634 . . . . 0.0 109.349 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.48 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 20.8 m95 -72.31 -29.14 63.57 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 121.58 -0.7 . . . . 0.0 110.354 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.703 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.3 tm-20 -73.59 -36.96 65.61 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.086 -1.009 . . . . 0.0 108.72 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 73.2 t -63.7 -44.17 98.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 139' ' ' ALA . 42.6 t -71.62 -27.41 28.21 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 141' ' ' GLU . 8.5 tpt85 -61.23 -54.16 47.72 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.21 -31.93 73.06 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.403 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 21.1 mm-40 -71.63 -30.91 66.29 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.595 -0.691 . . . . 0.0 110.11 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.6 mm -78.81 -32.78 15.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.471 ' HG3' HD22 ' A' ' 15' ' ' LEU . 27.8 ttm -73.75 -39.69 64.04 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.343 -0.848 . . . . 0.0 108.899 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -70.8 -45.17 65.11 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 121.562 -0.711 . . . . 0.0 109.257 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 95.5 p -63.27 -38.28 90.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.634 -0.666 . . . . 0.0 109.671 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.777 ' HB3' HD21 ' A' ' 15' ' ' LEU . 38.0 t80 -68.81 -42.19 77.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.0 t -67.36 -32.86 74.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.408 -0.807 . . . . 0.0 109.379 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.859 HD22 ' HG3' ' A' ' 40' ' ' GLN . 38.0 mt -71.02 -36.13 72.27 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 24.5 m -69.55 -38.62 77.52 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.771 -0.581 . . . . 0.0 109.707 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.4 p -93.4 1.57 56.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.476 -0.765 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 45.0 t30 . . . . . 0 C--O 1.215 -0.74 0 O-C-N 121.246 -0.909 . . . . 0.0 110.856 -179.503 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.556 ' HB3' HG21 ' A' ' 155' ' ' THR . 71.1 m . . . . . 0 C--O 1.217 -0.612 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -66.67 -43.58 84.13 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.489 -0.757 . . . . 0.0 109.819 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.7 ttp180 -74.11 -31.81 62.94 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.347 -0.846 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.504 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 21.0 m -61.93 -45.7 92.56 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.221 -0.924 . . . . 0.0 108.881 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.926 HD21 ' HB3' ' A' ' 151' ' ' PHE . 69.9 mt -69.25 -32.59 71.89 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.688 -0.632 . . . . 0.0 109.491 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 ttp -65.0 -35.08 80.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.374 -0.828 . . . . 0.0 108.846 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 84' ' ' PHE . 97.5 mt -66.48 -42.41 87.53 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.618 HD12 HD23 ' A' ' 15' ' ' LEU . 75.5 mt -61.24 -34.55 75.33 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.671 -0.643 . . . . 0.0 109.53 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.59 -46.87 74.54 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.625 -0.672 . . . . 0.0 109.298 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -69.09 -18.97 64.05 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.49 -0.756 . . . . 0.0 109.787 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.51 ' O ' ' CZ3' ' A' ' 76' ' ' TRP . 43.3 mtp -88.04 29.97 0.89 Allowed 'General case' 0 C--O 1.207 -1.149 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 24' ' ' ILE . 33.6 ttm-85 -102.64 117.29 34.35 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 120.868 -1.145 . . . . 0.0 108.72 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HE2' ' C ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -94.39 -31.53 13.96 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.466 -0.772 . . . . 0.0 109.574 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.815 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pt -129.1 171.51 16.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 121.629 -0.669 . . . . 0.0 109.474 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.0 m -94.42 147.1 23.57 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.9 tp -64.51 -32.13 73.64 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.36 -39.34 92.19 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -65.91 -26.53 67.65 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.438 -0.789 . . . . 0.0 109.304 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.815 ' SG ' HD12 ' A' ' 24' ' ' ILE . 54.4 m -106.66 46.75 0.91 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.6 mt -86.68 -2.34 58.45 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.159 -0.963 . . . . 0.0 109.839 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -82.55 -29.45 30.33 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.442 -0.786 . . . . 0.0 108.994 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -117.02 30.08 7.54 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.685 -0.635 . . . . 0.0 109.496 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -79.77 122.56 26.76 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.087 -1.008 . . . . 0.0 109.228 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -139.17 121.05 15.49 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.606 -0.684 . . . . 0.0 109.367 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -78.17 138.68 38.81 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.39 -0.819 . . . . 0.0 109.243 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 55.0 m-85 -92.53 -45.17 8.25 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.522 -0.736 . . . . 0.0 109.441 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 68.54 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 68.7 t80 -64.29 133.2 95.57 Favored Pre-proline 0 C--O 1.217 -0.634 0 O-C-N 121.587 -0.949 . . . . 0.0 108.784 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.7 Cg_endo -79.66 69.85 7.76 Favored 'Trans proline' 0 C--N 1.351 0.709 0 O-C-N 123.711 1.374 . . . . 0.0 111.29 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HG3' HD22 ' A' ' 153' ' ' LEU . 5.0 tm0? -77.49 -20.7 53.94 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.432 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.28 -32.72 62.62 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.26 41.53 1.11 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.514 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 4.1 m-85 . . . . . 0 CA--C 1.544 0.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.244 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 12.3 t . . . . . 0 C--O 1.214 -0.813 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.748 HG23 HD23 ' A' ' 95' ' ' LEU . 43.2 mt -58.07 -43.69 98.65 Favored Pre-proline 0 C--O 1.213 -0.84 0 O-C-N 120.952 -1.092 . . . . 0.0 110.151 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.95 -25.83 51.85 Favored 'Trans proline' 0 C--N 1.356 0.968 0 O-C-N 123.206 1.109 . . . . 0.0 110.238 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.731 ' HA ' HG12 ' A' ' 116' ' ' ILE . 5.2 t -74.41 -45.68 45.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 41.1 mt -63.04 -36.94 85.25 Favored 'General case' 0 C--O 1.21 -1.002 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 61.9 t-80 -61.22 -47.65 85.1 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.723 -0.611 . . . . 0.0 109.652 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.894 ' HG3' HD13 ' A' ' 116' ' ' ILE . 60.5 mm-40 -69.94 -28.84 65.91 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.465 -0.772 . . . . 0.0 109.758 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.1 ttt -68.59 -36.96 79.42 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.339 -0.85 . . . . 0.0 108.717 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.669 HG21 ' HG ' ' A' ' 92' ' ' LEU . 8.3 mm -67.21 -36.76 77.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 121.454 -0.778 . . . . 0.0 108.982 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -72.08 -35.35 69.21 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.606 -0.684 . . . . 0.0 109.404 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -67.64 -41.96 83.03 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.362 -0.836 . . . . 0.0 108.929 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 67' ' ' PHE . 85.3 mt -71.82 -27.35 27.51 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.618 ' HA ' HD13 ' A' ' 88' ' ' LEU . 44.9 t80 -66.82 -45.98 76.6 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 121.343 -0.848 . . . . 0.0 109.607 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.54 ' O ' HG23 ' A' ' 69' ' ' THR . 5.9 m120 -74.98 -36.11 62.04 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.536 -0.728 . . . . 0.0 109.567 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 130' ' ' LEU . 38.4 tp -63.15 -30.49 71.63 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.488 -0.758 . . . . 0.0 109.269 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.7 m-85 -99.74 -12.59 19.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.625 -0.672 . . . . 0.0 110.296 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -86.66 -20.25 28.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.11 -0.993 . . . . 0.0 109.768 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 65' ' ' ASN . 17.8 p -53.7 147.17 12.01 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.963 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -25.1 67.88 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.49 -0.756 . . . . 0.0 109.72 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.5 m-20 -72.16 -39.01 69.03 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.524 -0.735 . . . . 0.0 109.027 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.481 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 84.0 p -77.35 -32.37 55.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.681 -0.637 . . . . 0.0 109.405 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.537 ' HA ' HD12 ' A' ' 81' ' ' LEU . 32.9 t -66.95 -33.07 74.77 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.317 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.79 -24.63 33.31 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -33.27 66.69 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' MET . 63.5 m95 -119.55 174.18 6.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.566 -0.709 . . . . 0.0 109.852 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.72 131.17 44.14 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.375 -0.828 . . . . 0.0 108.865 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.14 -26.52 68.57 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.518 -0.739 . . . . 0.0 110.183 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.9 m -78.53 -46.32 19.8 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.218 -0.926 . . . . 0.0 108.856 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 80' ' ' LEU . 64.4 mt -62.4 -36.52 82.58 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.99 -34.72 69.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -55.34 -49.07 73.18 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.599 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 25.2 tptp -65.8 -37.68 86.92 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 17' ' ' LEU . 28.7 t80 -63.25 -26.79 68.95 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.955 -0.465 . . . . 0.0 109.765 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 22.7 m-85 -75.57 -49.47 18.49 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.042 -1.036 . . . . 0.0 108.996 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.0 m -62.58 -31.19 71.97 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.776 -0.578 . . . . 0.0 109.489 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' A' ' 14' ' ' THR . 16.5 tp10 -71.11 -40.05 71.71 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.392 -0.818 . . . . 0.0 109.077 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' A' ' 64' ' ' PHE . 67.8 mt -63.82 -44.9 91.86 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.611 -0.68 . . . . 0.0 109.291 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-85 -69.29 -28.94 66.72 Favored 'General case' 0 C--O 1.213 -0.868 0 O-C-N 121.346 -0.846 . . . . 0.0 110.084 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.58 -50.56 64.67 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.249 -0.907 . . . . 0.0 108.561 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.27 -25.78 67.03 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.669 ' HG ' HG21 ' A' ' 60' ' ' ILE . 18.1 mt -71.28 -34.0 70.26 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.458 -0.776 . . . . 0.0 109.235 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.85 -43.11 72.59 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.392 -0.818 . . . . 0.0 109.175 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -66.83 -45.95 76.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.496 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.748 HD23 HG23 ' A' ' 53' ' ' ILE . 63.6 mt . . . . . 0 C--O 1.216 -0.692 0 O-C-N 121.855 -0.528 . . . . 0.0 110.227 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 . . . . . 0 C--O 1.216 -0.68 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.621 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 47.7 m -64.9 -41.61 95.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.894 HD13 ' HG3' ' A' ' 58' ' ' GLU . 55.4 mt -65.96 -33.29 62.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 117' ' ' LEU . 16.4 mt -66.84 -33.65 76.08 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -68.67 -46.17 69.79 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.17 -23.28 30.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.4 ttt85 -70.86 -45.19 64.9 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.33 -0.856 . . . . 0.0 109.388 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.97 -32.18 70.27 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.425 -0.797 . . . . 0.0 108.903 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.663 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.5 t80 -63.63 -52.39 61.03 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -68.45 -27.92 66.59 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.757 -0.589 . . . . 0.0 110.232 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -63.7 -40.66 97.34 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -70.17 -34.08 72.56 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.663 HD11 ' CE2' ' A' ' 122' ' ' TYR . 62.7 mt -65.65 -36.54 77.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 O-C-N 121.423 -0.798 . . . . 0.0 109.108 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.0 m -66.78 -43.76 83.16 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.421 -0.799 . . . . 0.0 109.217 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.9 -34.74 78.82 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.424 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 89.2 t80 -59.48 -47.02 87.12 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 66' ' ' LEU . 73.2 mt -61.32 -37.16 82.25 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.02 -29.21 67.33 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.376 -0.827 . . . . 0.0 109.55 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.58 -52.15 28.76 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.536 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.9 mptt -82.25 3.38 27.69 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.84 -0.537 . . . . 0.0 109.839 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 5.0 mptp? 55.91 47.43 20.08 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.383 -0.823 . . . . 0.0 109.463 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 92.5 m-85 56.72 54.87 6.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.601 0.715 . . . . 0.0 109.88 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.486 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 36.9 t -80.56 152.64 72.96 Favored Pre-proline 0 C--O 1.215 -0.721 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.486 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.0 Cg_endo -63.24 -38.57 43.55 Favored 'Trans proline' 0 C--N 1.353 0.764 0 O-C-N 123.55 1.289 . . . . 0.0 110.819 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -71.69 -36.93 70.75 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.5 -41.77 96.24 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.591 -0.693 . . . . 0.0 109.148 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.481 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 19.8 m95 -66.03 -34.81 78.92 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.951 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.38 -42.95 87.17 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.113 -0.992 . . . . 0.0 108.772 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.5 t -59.9 -43.46 92.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 147' ' ' ILE . 62.8 t -68.69 -27.72 37.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.059 0 O-C-N 121.69 -0.631 . . . . 0.0 109.787 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.618 ' NE ' ' HA ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.21 -52.06 51.68 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.171 -0.956 . . . . 0.0 108.699 178.508 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.21 71.32 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -75.72 -30.25 59.21 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.509 -0.744 . . . . 0.0 109.996 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.4 mm -80.34 -35.29 15.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 121.414 -0.804 . . . . 0.0 109.54 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.478 ' HG3' HD22 ' A' ' 15' ' ' LEU . 31.9 ttm -73.22 -37.97 66.21 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -70.91 -48.91 51.08 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.623 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 89.4 p -61.12 -37.96 84.65 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.78 -0.575 . . . . 0.0 109.749 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.926 ' HB3' HD21 ' A' ' 15' ' ' LEU . 37.3 t80 -68.11 -41.95 81.02 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.523 -0.735 . . . . 0.0 109.591 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.3 m -65.8 -33.37 75.7 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.543 HD22 ' HG3' ' A' ' 40' ' ' GLN . 78.8 mt -69.91 -33.71 72.52 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.699 -0.626 . . . . 0.0 109.687 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.551 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 4.2 m -78.78 -27.47 44.55 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.193 -0.942 . . . . 0.0 109.591 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.556 HG21 ' HB3' ' A' ' 11' ' ' SER . 68.9 p -99.07 1.21 45.01 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.702 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.4 p30 . . . . . 0 CA--C 1.544 0.72 0 O-C-N 120.803 -1.186 . . . . 0.0 110.836 -179.454 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' HG21 ' A' ' 155' ' ' THR . 37.8 m . . . . . 0 C--O 1.217 -0.649 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 21.9 tpt180 -66.82 -38.78 87.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.521 -0.737 . . . . 0.0 109.38 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' HG3' ' A' ' 16' ' ' MET . 55.3 mtm-85 -67.17 -35.33 79.45 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.341 -0.849 . . . . 0.0 109.16 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.443 ' HA ' HD12 ' A' ' 17' ' ' LEU . 32.5 m -63.27 -41.3 99.0 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.383 -0.823 . . . . 0.0 109.24 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.817 HD21 ' HB3' ' A' ' 151' ' ' PHE . 22.2 mt -71.59 -31.18 66.66 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.591 . . . . 0.0 110.07 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -66.12 -32.16 73.45 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.273 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 84' ' ' PHE . 73.1 mt -64.79 -45.57 85.73 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 15' ' ' LEU . 81.8 mt -58.74 -39.87 82.17 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.899 -0.501 . . . . 0.0 109.869 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB2' ' HE1' ' A' ' 148' ' ' MET . . . -61.16 -42.41 98.51 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.441 -0.787 . . . . 0.0 109.885 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -75.2 -24.56 57.8 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.545 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 51.0 mtp -73.41 -19.28 61.01 Favored 'General case' 0 C--O 1.207 -1.156 0 O-C-N 121.29 -0.881 . . . . 0.0 110.774 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -68.71 118.83 12.2 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 120.844 -1.16 . . . . 0.0 109.693 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.9 mptp? -96.01 -34.71 11.66 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.689 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.845 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.1 pt -118.63 170.53 7.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 O-C-N 121.498 -0.751 . . . . 0.0 110.216 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -101.29 156.68 17.3 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.536 -0.727 . . . . 0.0 110.029 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.489 ' CD1' HG22 ' A' ' 142' ' ' VAL . 62.4 tp -68.07 -30.45 69.64 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -68.22 -38.15 81.58 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -67.98 -31.04 70.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.845 ' SG ' HD12 ' A' ' 24' ' ' ILE . 36.5 m -108.36 52.78 0.7 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.586 -0.697 . . . . 0.0 109.807 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -78.71 -1.97 37.07 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.067 -1.02 . . . . 0.0 110.254 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -76.97 -29.76 55.68 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.609 ' O ' HG21 ' A' ' 142' ' ' VAL . 3.0 m-20 -106.42 21.44 17.42 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.704 -0.622 . . . . 0.0 110.147 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.65 105.2 1.82 Allowed 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.067 -1.021 . . . . 0.0 109.249 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -147.21 122.31 10.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -82.14 126.05 31.6 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.381 -0.824 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB2' ' HE1' ' A' ' 122' ' ' TYR . 46.0 m-85 -76.61 -51.13 12.18 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.4 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.42 76.0 0.72 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.1 t80 -73.19 131.09 83.68 Favored Pre-proline 0 C--O 1.217 -0.615 0 O-C-N 121.491 -1.005 . . . . 0.0 108.712 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.658 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.5 Cg_endo -82.07 74.18 5.34 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 O-C-N 123.653 1.344 . . . . 0.0 111.191 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -77.73 -14.42 59.61 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.545 178.541 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.89 -32.71 69.75 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.102 -0.999 . . . . 0.0 109.112 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.55 ' HG2' ' CA ' ' A' ' 115' ' ' SER . 1.6 tp10 -96.29 30.57 2.46 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.47 -0.768 . . . . 0.0 108.982 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.573 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 9.4 m-85 . . . . . 0 C--O 1.218 -0.574 0 O-C-N 121.399 -0.813 . . . . 0.0 108.832 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 6.1 t . . . . . 0 C--O 1.213 -0.823 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.786 HG23 HD23 ' A' ' 95' ' ' LEU . 59.4 mt -60.25 -43.11 92.69 Favored Pre-proline 0 C--O 1.214 -0.792 0 O-C-N 121.026 -1.047 . . . . 0.0 110.514 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -65.91 -29.82 49.27 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 123.133 1.07 . . . . 0.0 110.106 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.769 ' HA ' HG12 ' A' ' 116' ' ' ILE . 11.8 t -73.38 -37.04 50.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.607 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 46.7 mt -71.67 -28.66 63.88 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 121.601 -0.687 . . . . 0.0 109.437 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.48 -40.65 70.12 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.36 -0.837 . . . . 0.0 108.949 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 116' ' ' ILE . 15.8 tp10 -75.88 -33.67 59.97 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.09 -47.21 71.9 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.282 -0.886 . . . . 0.0 108.998 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.506 HG12 ' HE1' ' A' ' 151' ' ' PHE . 6.7 mt -72.84 -20.87 19.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 121.707 -0.621 . . . . 0.0 109.582 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -76.07 -34.96 59.58 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -74.99 -33.28 61.82 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.677 -0.639 . . . . 0.0 109.339 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.8 mt -76.35 -33.19 23.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' HA ' HD13 ' A' ' 88' ' ' LEU . 37.0 t80 -63.37 -44.6 94.34 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.518 -0.739 . . . . 0.0 109.431 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.751 ' O ' HG23 ' A' ' 69' ' ' THR . 20.6 t-20 -79.53 -37.9 35.5 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.487 -0.758 . . . . 0.0 109.552 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.73 -32.16 68.96 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.462 -0.774 . . . . 0.0 109.469 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.428 ' CD2' ' HE1' ' A' ' 21' ' ' MET . 9.3 m-85 -96.01 -27.86 14.92 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.639 -0.663 . . . . 0.0 109.982 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.5 t -72.63 -20.86 61.2 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 65' ' ' ASN . 29.2 p -53.52 147.57 10.76 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.981 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -61.44 -22.44 65.03 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.691 -0.631 . . . . 0.0 110.082 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -76.27 -40.73 51.06 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.361 -0.837 . . . . 0.0 109.295 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.463 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 26.4 t -78.88 -29.82 44.63 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.434 -0.791 . . . . 0.0 109.149 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.473 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 28.8 t -66.23 -36.46 83.1 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.642 -0.661 . . . . 0.0 109.219 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.32 -27.44 32.24 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.89 71.47 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.549 -0.72 . . . . 0.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 65.3 m95 -119.83 170.18 9.46 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.384 -0.822 . . . . 0.0 109.912 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -66.48 133.68 50.89 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.38 -0.825 . . . . 0.0 108.797 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.21 -30.29 71.17 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.716 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -77.68 -43.55 30.86 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.08 -1.013 . . . . 0.0 109.155 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.4 -35.72 81.34 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.507 ' HA ' HD23 ' A' ' 81' ' ' LEU . 10.7 mt -73.39 -32.53 64.51 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.42 -51.88 67.95 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HD2' HD21 ' A' ' 17' ' ' LEU . 34.0 ttmt -64.53 -34.43 78.21 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.858 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.7 t80 -63.95 -33.09 74.93 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.771 -0.58 . . . . 0.0 109.601 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -73.22 -34.11 65.73 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 121.269 -0.894 . . . . 0.0 109.236 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.7 m -66.46 -42.13 88.04 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -32.15 69.46 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 84' ' ' PHE . 75.0 mt -70.35 -38.2 74.77 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.484 -0.76 . . . . 0.0 109.787 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -78.91 -33.18 45.74 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.636 -0.665 . . . . 0.0 110.644 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.56 -41.78 68.65 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -31.18 68.99 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.02 -44.56 79.95 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.6 -0.687 . . . . 0.0 109.559 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -61.53 -41.8 97.86 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.637 -0.664 . . . . 0.0 109.391 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -65.18 -43.59 91.19 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.522 -0.736 . . . . 0.0 109.279 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 53' ' ' ILE . 73.8 mt . . . . . 0 C--O 1.217 -0.653 0 O-C-N 121.879 -0.513 . . . . 0.0 110.011 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.55 ' CA ' ' HG2' ' A' ' 42' ' ' GLU . 32.4 t -71.24 -40.13 71.24 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 121.267 -0.895 . . . . 0.0 108.773 178.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.769 HG12 ' HA ' ' A' ' 55' ' ' VAL . 28.0 mt -75.23 -37.88 40.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -32.24 73.84 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.658 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.26 -48.99 66.09 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.15 -26.59 40.16 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.9 ttm-85 -71.54 -44.18 65.06 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.203 -0.935 . . . . 0.0 109.886 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.13 -30.94 63.97 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.302 -0.874 . . . . 0.0 109.289 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.668 ' CE2' HD11 ' A' ' 126' ' ' ILE . 36.1 t80 -67.03 -47.93 69.88 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.563 -0.71 . . . . 0.0 109.167 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -69.25 -27.53 65.53 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.702 -0.624 . . . . 0.0 109.827 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -63.93 -40.53 96.68 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 31.6 tpt180 -67.59 -39.06 84.84 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.668 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.6 mt -59.99 -40.78 84.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 24.8 m -65.63 -42.07 91.9 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.3 tt -63.44 -37.01 85.64 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.453 -0.779 . . . . 0.0 109.443 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.432 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 19.9 t80 -64.69 -38.23 90.29 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.1 mt -66.31 -37.9 86.45 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 127' ' ' THR . 32.0 mmtp -69.12 -32.26 71.53 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.98 -50.88 60.89 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.562 -0.712 . . . . 0.0 109.997 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.553 ' HB3' ' CB ' ' A' ' 136' ' ' SER . 5.5 mptp? -83.99 4.43 29.85 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.718 -0.614 . . . . 0.0 110.022 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 54.82 48.32 20.36 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.428 -0.795 . . . . 0.0 109.231 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 58.28 56.59 4.38 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.596 -0.69 . . . . 0.0 109.881 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.553 ' CB ' ' HB3' ' A' ' 133' ' ' LYS . 46.9 t -83.95 148.94 55.2 Favored Pre-proline 0 C--O 1.216 -0.687 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.41 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.4 Cg_endo -65.26 -33.15 49.8 Favored 'Trans proline' 0 C--N 1.353 0.773 0 O-C-N 123.66 1.347 . . . . 0.0 111.176 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.98 -42.71 72.74 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.456 -0.778 . . . . 0.0 108.959 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.541 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.23 -40.04 93.55 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 17.2 m95 -63.2 -36.7 84.52 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.708 -0.62 . . . . 0.0 109.811 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.571 ' HG3' HG13 ' A' ' 24' ' ' ILE . 15.8 tm-20 -65.58 -41.99 92.25 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.609 HG21 ' O ' ' A' ' 32' ' ' ASP . 64.1 t -63.23 -35.63 72.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.5 t -75.6 -23.92 16.84 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 121.689 -0.632 . . . . 0.0 109.523 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.495 ' HA ' ' NH1' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -66.45 -54.25 26.22 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.31 78.03 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.447 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 5.8 mm-40 -70.01 -35.82 74.66 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.622 -0.674 . . . . 0.0 110.407 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -76.24 -30.98 20.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 109.869 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.423 ' HE1' ' HB2' ' A' ' 19' ' ' ALA . 30.0 ttm -72.52 -38.98 67.91 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.392 -0.818 . . . . 0.0 109.12 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -73.38 -46.85 46.54 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.539 -0.725 . . . . 0.0 109.513 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.7 m -60.91 -42.98 99.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.711 -0.618 . . . . 0.0 109.952 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.817 ' HB3' HD21 ' A' ' 15' ' ' LEU . 51.3 t80 -66.31 -41.45 89.67 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.419 -0.8 . . . . 0.0 110.103 -179.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.2 p -68.34 -31.7 71.28 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.372 -0.83 . . . . 0.0 109.438 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.439 HD22 ' HG3' ' A' ' 40' ' ' GLN . 33.2 mt -69.41 -40.94 77.0 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.456 -0.778 . . . . 0.0 109.608 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.607 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 74.4 m -73.68 -30.36 62.84 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.716 -0.615 . . . . 0.0 110.322 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.591 HG21 ' CE2' ' A' ' 151' ' ' PHE . 81.8 p -97.86 -0.75 44.48 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.217 -0.927 . . . . 0.0 111.008 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.216 -0.708 0 O-C-N 120.822 -1.174 . . . . 0.0 110.372 179.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' HG21 ' A' ' 155' ' ' THR . 60.9 p . . . . . 0 C--O 1.218 -0.6 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.81 -38.31 88.6 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.611 -0.681 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -70.21 -36.22 74.41 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.384 -0.823 . . . . 0.0 109.735 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.1 m -60.34 -45.58 92.95 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.429 -0.794 . . . . 0.0 109.116 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 151' ' ' PHE . 21.6 mt -67.19 -34.43 77.51 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.738 -0.601 . . . . 0.0 109.439 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -63.12 -37.93 89.16 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.315 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' A' ' 84' ' ' PHE . 85.2 mt -61.76 -43.62 98.5 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.625 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 76.8 mt -58.16 -35.05 70.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.708 -0.62 . . . . 0.0 109.839 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.37 -34.67 72.87 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.41 -0.807 . . . . 0.0 109.814 179.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.76 -50.32 44.46 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.314 -0.866 . . . . 0.0 110.496 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -63.78 -18.17 63.81 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.359 -0.838 . . . . 0.0 110.934 -178.581 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -52.28 109.07 0.35 Allowed 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.244 -0.91 . . . . 0.0 109.418 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 0.9 OUTLIER -92.88 -36.75 12.64 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.698 -0.626 . . . . 0.0 109.811 -179.738 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.734 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -124.07 170.38 14.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.541 -0.724 . . . . 0.0 110.002 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -104.01 159.9 15.28 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.61 -0.681 . . . . 0.0 109.875 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' HG22 ' A' ' 142' ' ' VAL . 36.7 tp -68.82 -28.11 66.46 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.16 -37.97 78.49 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.487 -0.758 . . . . 0.0 109.119 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -68.2 -28.7 67.49 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.408 -0.807 . . . . 0.0 108.885 177.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.734 ' SG ' HD12 ' A' ' 24' ' ' ILE . 58.2 m -109.57 51.87 0.74 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.599 -0.688 . . . . 0.0 109.96 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD23 ' HD3' ' A' ' 33' ' ' ARG . 72.2 mt -81.31 -2.67 49.94 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 179.072 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -79.02 -33.53 44.77 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.628 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.9 m-20 -111.08 25.32 11.88 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.875 -0.516 . . . . 0.0 109.779 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HD3' HD23 ' A' ' 30' ' ' LEU . 60.6 ttp180 -74.3 112.13 10.16 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 120.973 -1.079 . . . . 0.0 109.071 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -146.25 115.0 6.86 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -78.52 129.1 34.46 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 71.8 m-85 -75.27 -44.77 44.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.534 -0.729 . . . . 0.0 109.703 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.87 78.61 1.02 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 91.8 t80 -67.46 133.67 92.94 Favored Pre-proline 0 C--O 1.217 -0.61 0 O-C-N 121.621 -0.929 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.61 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.3 Cg_endo -82.43 70.82 6.8 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 O-C-N 123.718 1.378 . . . . 0.0 111.091 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -73.53 -15.71 61.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 177.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.35 -33.1 69.18 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.27 -0.894 . . . . 0.0 109.494 178.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.636 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 28.9 tp10 -93.84 24.37 4.23 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.326 -0.858 . . . . 0.0 109.515 178.594 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 17.1 m-85 . . . . . 0 C--O 1.213 -0.826 0 O-C-N 121.243 -0.911 . . . . 0.0 109.759 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.475 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.5 t . . . . . 0 C--O 1.213 -0.84 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.804 HG23 HD23 ' A' ' 95' ' ' LEU . 71.3 mt -60.67 -44.63 95.86 Favored Pre-proline 0 C--O 1.214 -0.803 0 O-C-N 121.159 -0.963 . . . . 0.0 110.87 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.66 -29.19 60.43 Favored 'Trans proline' 0 C--N 1.356 0.969 0 O-C-N 123.096 1.051 . . . . 0.0 109.956 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.643 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.3 t -75.52 -38.32 38.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.54 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.568 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 63.3 mt -69.25 -27.08 65.13 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 121.508 -0.745 . . . . 0.0 109.15 178.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -71.57 -46.02 60.59 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.322 -0.861 . . . . 0.0 109.261 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HB3' HG23 ' A' ' 116' ' ' ILE . 2.0 mp0 -76.72 -26.63 54.86 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.443 -0.785 . . . . 0.0 110.07 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.419 ' HG3' HG11 ' A' ' 119' ' ' VAL . 13.9 ttt -73.89 -44.52 55.04 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.186 -0.946 . . . . 0.0 108.869 179.19 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.423 HG12 ' HE2' ' A' ' 151' ' ' PHE . 6.5 mt -71.44 -23.8 23.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.067 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -71.67 -37.18 70.79 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 176.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.94 -40.12 79.17 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.656 -0.653 . . . . 0.0 109.309 178.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.489 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.6 mt -70.25 -30.82 44.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.647 ' HA ' HD13 ' A' ' 88' ' ' LEU . 26.1 t80 -62.65 -46.7 87.01 Favored 'General case' 0 C--O 1.21 -0.98 0 O-C-N 121.445 -0.784 . . . . 0.0 109.791 -179.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 69' ' ' THR . 74.6 m-80 -79.63 -32.92 41.77 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.54 -0.725 . . . . 0.0 110.008 -179.024 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 130' ' ' LEU . 45.4 tp -62.41 -31.69 72.42 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.49 -0.756 . . . . 0.0 109.52 179.427 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.5 m-85 -99.18 -25.27 14.58 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.549 -0.719 . . . . 0.0 110.055 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.485 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 10.0 t -73.82 -16.55 61.14 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.985 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 65' ' ' ASN . 15.7 p -56.9 149.08 19.35 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.265 -0.897 . . . . 0.0 109.953 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.98 -24.75 68.05 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 179.3 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 7.6 m-20 -72.31 -42.98 64.84 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.492 -0.755 . . . . 0.0 109.444 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -72.08 -34.64 68.84 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.425 -0.797 . . . . 0.0 109.344 179.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' ' 81' ' ' LEU . 26.7 t -64.91 -31.36 72.56 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.702 -0.624 . . . . 0.0 109.59 179.239 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.44 -30.26 27.42 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.19 77.41 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.648 -0.658 . . . . 0.0 109.964 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.484 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 69.7 m95 -106.2 173.99 6.08 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -178.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.15 131.24 43.27 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -62.83 -27.89 69.64 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.491 -0.756 . . . . 0.0 110.625 -178.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -77.95 -44.08 27.87 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.093 -1.005 . . . . 0.0 108.949 179.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 80' ' ' LEU . 92.4 mt -63.56 -37.38 87.11 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.807 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -72.23 -32.69 66.94 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.657 -0.652 . . . . 0.0 109.244 177.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -56.14 -51.67 67.13 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -64.26 -34.87 79.11 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.178 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 88' ' ' LEU . 22.2 t80 -64.06 -30.79 71.84 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 121.756 -0.59 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.4 m-85 -73.81 -36.62 65.0 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.233 -0.917 . . . . 0.0 108.822 178.291 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.5 m -67.77 -38.43 83.38 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.76 -0.588 . . . . 0.0 109.637 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -71.12 -37.21 72.34 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.239 -0.913 . . . . 0.0 109.639 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 64' ' ' PHE . 75.0 mt -67.39 -38.9 85.41 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.522 -0.736 . . . . 0.0 109.737 179.286 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -77.08 -34.48 56.93 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.532 -0.73 . . . . 0.0 110.631 -177.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -71.05 -39.92 71.99 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.039 -1.038 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -68.19 -31.95 71.84 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.18 -48.49 70.52 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.63 -0.668 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -59.13 -39.28 81.85 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.677 -0.64 . . . . 0.0 110.002 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.9 -43.94 82.1 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.38 -0.825 . . . . 0.0 108.94 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.804 HD23 HG23 ' A' ' 53' ' ' ILE . 60.1 mt . . . . . 0 C--O 1.217 -0.651 0 CA-C-O 121.035 0.445 . . . . 0.0 110.068 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 . . . . . 0 C--O 1.218 -0.588 0 CA-C-O 120.676 0.274 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.636 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 6.4 t -74.14 -44.9 51.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.174 -0.954 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.643 HG12 ' HA ' ' A' ' 55' ' ' VAL . 75.6 mt -68.76 -32.51 55.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 O-C-N 121.26 -0.9 . . . . 0.0 109.13 178.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.8 tt -64.83 -39.44 93.58 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.61 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -63.23 -49.17 75.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 59' ' ' MET . 95.9 t -64.4 -24.81 36.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 121.706 -0.621 . . . . 0.0 109.381 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 124' ' ' GLN . 35.2 mtt-85 -72.23 -41.48 66.77 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.214 -0.929 . . . . 0.0 109.785 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -70.13 -32.57 70.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.366 -0.834 . . . . 0.0 108.881 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 64.6 t80 -65.64 -51.24 61.13 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.46 -21.76 61.92 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 121.864 -0.523 . . . . 0.0 110.288 179.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 120' ' ' ARG . 35.8 tt0 -67.3 -41.36 85.51 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.023 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -68.42 -37.36 80.22 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.505 HD11 ' CE2' ' A' ' 122' ' ' TYR . 61.6 mt -65.4 -37.77 80.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 121.606 -0.684 . . . . 0.0 109.475 178.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.0 m -69.7 -41.65 75.1 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.471 -0.768 . . . . 0.0 109.34 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -67.96 -31.11 70.6 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.145 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 27.6 t80 -65.99 -37.9 87.12 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.41 -0.806 . . . . 0.0 109.157 178.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.574 ' CD1' HD11 ' A' ' 66' ' ' LEU . 71.9 mt -68.54 -41.41 79.87 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.688 -0.633 . . . . 0.0 109.439 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -69.54 -29.07 66.58 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.666 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -71.47 -49.69 38.89 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.39 -0.818 . . . . 0.0 109.967 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 14.3 mptt -82.71 3.4 29.27 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.554 -0.716 . . . . 0.0 109.805 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp 55.22 49.1 17.95 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 121.441 -0.787 . . . . 0.0 109.67 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.0 m-85 55.82 54.49 8.1 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 121.452 0.644 . . . . 0.0 110.167 179.325 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.424 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.9 t -79.58 149.86 72.18 Favored Pre-proline 0 C--O 1.215 -0.735 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.424 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.5 Cg_endo -63.04 -37.23 54.33 Favored 'Trans proline' 0 C--N 1.351 0.69 0 O-C-N 123.643 1.338 . . . . 0.0 110.744 179.349 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.66 -39.58 73.49 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -62.72 -42.24 99.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.597 -0.69 . . . . 0.0 109.169 178.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -65.57 -34.07 77.4 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.59 -0.693 . . . . 0.0 109.754 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.614 ' CG ' HG13 ' A' ' 24' ' ' ILE . 2.9 tm-20 -63.68 -47.6 80.56 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.302 -0.874 . . . . 0.0 108.727 179.105 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.628 HG21 ' O ' ' A' ' 32' ' ' ASP . 75.5 t -60.0 -42.63 90.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.494 HG13 ' CG2' ' A' ' 126' ' ' ILE . 64.0 t -69.05 -23.27 26.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.698 -0.626 . . . . 0.0 109.587 178.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.438 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 29.7 ttp85 -70.12 -47.89 59.85 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.193 -0.942 . . . . 0.0 108.779 179.225 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.28 71.14 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.204 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.8 -35.42 69.96 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.623 -0.673 . . . . 0.0 109.986 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 mm -77.75 -33.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 O-C-N 121.416 -0.802 . . . . 0.0 109.459 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.69 -40.17 69.72 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.416 -0.803 . . . . 0.0 108.903 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -69.36 -44.34 71.77 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.676 -0.64 . . . . 0.0 109.403 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.53 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.7 p -63.02 -41.92 99.67 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.869 -0.519 . . . . 0.0 109.957 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.748 ' HB3' HD21 ' A' ' 15' ' ' LEU . 41.1 t80 -69.41 -37.78 77.61 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.431 -0.793 . . . . 0.0 109.603 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.8 m -68.91 -34.2 75.0 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.335 -0.853 . . . . 0.0 109.313 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.442 HD13 ' HD2' ' A' ' 38' ' ' PHE . 36.5 mt -66.24 -47.6 73.22 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.286 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.568 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 71.8 m -64.71 -36.64 84.93 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.972 -0.455 . . . . 0.0 110.362 -179.072 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 11' ' ' SER . 65.5 p -90.15 -4.65 57.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.607 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.217 -0.649 0 O-C-N 121.062 -1.024 . . . . 0.0 109.89 179.149 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.82 ' HB3' HG21 ' A' ' 155' ' ' THR . 69.9 m . . . . . 0 C--O 1.217 -0.637 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.1 -38.21 87.67 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.419 -0.8 . . . . 0.0 109.557 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 66.4 ttt180 -70.18 -39.39 75.29 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.395 -0.816 . . . . 0.0 109.38 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -59.08 -42.58 90.74 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.561 -0.712 . . . . 0.0 109.15 178.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.918 HD21 ' HB3' ' A' ' 151' ' ' PHE . 81.4 mt -69.04 -34.09 74.66 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.735 -0.603 . . . . 0.0 109.528 178.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.9 ttp -61.61 -36.19 80.01 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 87' ' ' GLU . 79.4 mt -64.6 -44.09 91.72 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.449 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.765 HD12 HD23 ' A' ' 15' ' ' LEU . 57.0 mt -58.74 -28.89 66.29 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.957 -0.464 . . . . 0.0 110.018 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.34 -42.73 35.54 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.443 -0.785 . . . . 0.0 109.636 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.14 -29.37 69.65 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.517 -0.739 . . . . 0.0 110.243 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.673 ' HE2' ' HD2' ' A' ' 144' ' ' ARG . 5.2 ptm -90.53 31.31 1.04 Allowed 'General case' 0 C--O 1.208 -1.086 0 O-C-N 121.36 -0.838 . . . . 0.0 110.48 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -100.99 112.34 24.77 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 176.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 4.6 mptp? -87.96 -31.88 19.16 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.486 -0.759 . . . . 0.0 109.986 -178.168 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.939 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -129.03 169.81 19.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.503 -0.748 . . . . 0.0 110.488 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -97.76 155.43 17.03 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 109.738 -179.371 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HA ' ' OE1' ' A' ' 141' ' ' GLU . 43.4 tp -66.81 -30.31 70.47 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -70.41 -35.5 73.48 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 m -69.33 -29.92 67.86 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.939 ' SG ' HD12 ' A' ' 24' ' ' ILE . 19.6 m -106.58 50.39 0.77 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.446 -0.784 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD23 ' HD3' ' A' ' 33' ' ' ARG . 69.0 mt -80.07 -2.86 46.17 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.106 -0.996 . . . . 0.0 110.107 178.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -80.06 -27.26 39.4 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.594 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.6 m-20 -113.72 26.88 9.99 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.631 -0.668 . . . . 0.0 109.897 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HD3' HD23 ' A' ' 30' ' ' LEU . 58.5 ttp180 -76.0 120.61 21.56 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.069 -1.02 . . . . 0.0 108.8 179.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -146.55 134.46 21.35 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.531 -0.73 . . . . 0.0 109.464 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -85.8 124.32 32.17 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.562 -0.711 . . . . 0.0 109.153 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 63.7 m-85 -82.3 -50.89 8.45 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.532 -0.73 . . . . 0.0 109.673 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.43 71.73 0.76 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.54 ' HA ' ' CD1' ' A' ' 122' ' ' TYR . 84.7 t80 -74.07 135.6 76.71 Favored Pre-proline 0 C--O 1.217 -0.609 0 O-C-N 121.517 -0.99 . . . . 0.0 109.489 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.608 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.6 Cg_endo -86.24 78.41 2.15 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 O-C-N 123.877 1.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.2 tm0? -83.1 -12.92 56.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.188 -0.945 . . . . 0.0 109.573 178.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.15 -25.28 67.66 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.009 -1.057 . . . . 0.0 108.971 177.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.604 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.8 tp10 -90.72 17.11 8.04 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 177.658 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.625 ' CD2' HG21 ' A' ' 52' ' ' THR . 29.7 m-85 . . . . . 0 C--O 1.217 -0.647 0 O-C-N 121.33 -0.856 . . . . 0.0 108.805 179.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.625 HG21 ' CD2' ' A' ' 43' ' ' PHE . 2.0 m . . . . . 0 C--O 1.214 -0.799 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.867 HG23 HD23 ' A' ' 95' ' ' LEU . 57.0 mt -55.13 -42.15 94.4 Favored Pre-proline 0 C--O 1.212 -0.889 0 O-C-N 121.19 -0.944 . . . . 0.0 111.439 -179.012 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.5 Cg_endo -65.87 -33.11 44.11 Favored 'Trans proline' 0 C--N 1.356 0.952 0 O-C-N 123.035 1.018 . . . . 0.0 110.942 179.11 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.787 ' HA ' HG12 ' A' ' 116' ' ' ILE . 8.6 t -76.35 -37.3 31.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.647 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 69.2 mt -68.1 -31.46 71.09 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.6 -0.687 . . . . 0.0 109.206 179.238 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 60.0 t-80 -68.6 -50.49 51.13 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.683 ' HG2' HG21 ' A' ' 116' ' ' ILE . 30.0 tp10 -64.98 -37.2 86.88 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.522 -0.736 . . . . 0.0 109.588 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.5 ttt -61.05 -48.07 83.46 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.331 -0.856 . . . . 0.0 108.715 178.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.632 HG21 ' HG ' ' A' ' 92' ' ' LEU . 2.0 mm -57.4 -29.54 33.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.779 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -51.87 43.05 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 178.819 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -60.53 -34.88 74.77 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 121.337 -0.852 . . . . 0.0 110.413 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.496 HG23 ' CE1' ' A' ' 67' ' ' PHE . 71.1 mt -73.26 -33.53 41.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 O-C-N 121.214 -0.929 . . . . 0.0 108.543 178.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.696 ' HA ' HD13 ' A' ' 88' ' ' LEU . 33.7 t80 -61.74 -46.98 87.29 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.419 -0.801 . . . . 0.0 109.653 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 69' ' ' THR . 2.4 t-20 -75.64 -38.32 58.96 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.638 -0.664 . . . . 0.0 109.539 -179.505 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 130' ' ' LEU . 32.4 tp -59.55 -31.98 69.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.455 -0.778 . . . . 0.0 109.213 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.496 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.0 m-85 -96.76 -18.31 19.7 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.684 -0.635 . . . . 0.0 109.906 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.3 t -86.85 -15.23 39.76 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.066 179.472 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 65' ' ' ASN . 12.4 p -54.47 148.21 12.52 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.301 -0.874 . . . . 0.0 109.814 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -63.52 -26.09 68.55 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.515 -0.741 . . . . 0.0 109.597 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.6 m-20 -72.56 -39.97 67.02 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.474 -0.766 . . . . 0.0 109.222 178.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.561 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 97.5 p -76.72 -31.15 56.98 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.542 -0.723 . . . . 0.0 109.814 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.501 ' HA ' HD12 ' A' ' 81' ' ' LEU . 32.5 t -68.27 -32.15 72.11 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.529 -0.732 . . . . 0.0 109.674 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.56 -21.09 28.69 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.551 -0.718 . . . . 0.0 109.46 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.08 -26.59 48.25 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.377 -0.827 . . . . 0.0 110.17 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' A' ' 21' ' ' MET . 66.4 m95 -124.69 163.49 21.93 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.348 -0.845 . . . . 0.0 109.88 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.27 129.37 40.91 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.277 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 16.0 pt-20 -62.39 -24.99 67.69 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.61 -0.681 . . . . 0.0 110.248 -179.164 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.5 m -78.72 -44.73 22.82 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.175 -0.953 . . . . 0.0 108.85 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 80' ' ' LEU . 76.9 mt -63.36 -39.92 95.85 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -70.04 -33.3 71.8 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.499 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 11.4 t70 -55.31 -52.36 63.73 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 60.2 mmtt -64.04 -32.3 73.8 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.723 ' CE2' HD11 ' A' ' 88' ' ' LEU . 27.3 t80 -64.72 -33.66 76.49 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.614 -0.678 . . . . 0.0 109.457 178.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -72.73 -37.08 67.86 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.205 -0.935 . . . . 0.0 109.194 178.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.6 m -66.87 -40.79 87.95 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.772 ' HG3' HD11 ' A' ' 17' ' ' LEU . 77.6 mm-40 -70.69 -30.0 66.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.298 -0.876 . . . . 0.0 109.456 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.723 HD11 ' CE2' ' A' ' 84' ' ' PHE . 70.7 mt -71.66 -42.1 67.92 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.526 -0.733 . . . . 0.0 109.926 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 16.6 t80 -77.11 -31.61 55.94 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.393 -0.817 . . . . 0.0 109.919 -178.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -69.35 -45.43 69.4 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.191 -0.943 . . . . 0.0 108.531 178.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.01 -28.91 68.63 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.008 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.632 ' HG ' HG21 ' A' ' 60' ' ' ILE . 10.8 mt -70.17 -34.05 72.52 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.555 -0.716 . . . . 0.0 109.385 178.061 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -71.06 -41.92 70.11 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.575 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.22 -43.29 74.37 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.363 -0.836 . . . . 0.0 109.287 179.228 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.867 HD23 HG23 ' A' ' 53' ' ' ILE . 71.2 mt . . . . . 0 C--O 1.217 -0.649 0 O-C-N 121.864 -0.522 . . . . 0.0 109.89 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.5 t70 . . . . . 0 C--O 1.216 -0.708 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.604 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 21.2 t -64.54 -42.57 95.64 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 108.962 179.145 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.787 HG12 ' HA ' ' A' ' 55' ' ' VAL . 72.5 mt -68.67 -28.52 40.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.224 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 120' ' ' ARG . 13.2 mt -69.62 -31.98 70.41 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.563 -0.71 . . . . 0.0 109.376 179.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.608 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -71.75 -44.33 64.25 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.063 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.58 -35.22 74.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.608 -0.683 . . . . 0.0 109.998 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 12.7 ptm180 -67.52 -33.91 76.03 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.86 -1.15 . . . . 0.0 109.281 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 120' ' ' ARG . 57.4 tttm -67.35 -36.84 82.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.4 t80 -62.28 -51.41 67.81 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.21 -26.04 67.19 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.95 -0.469 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.32 -40.05 93.22 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.49 -31.45 68.56 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 122' ' ' TYR . 41.9 mt -68.53 -38.25 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.581 -0.7 . . . . 0.0 109.465 179.096 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.8 m -68.85 -36.38 78.08 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.446 -0.784 . . . . 0.0 109.185 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 128' ' ' LEU . 12.2 tp -71.17 -38.62 72.16 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.505 -0.747 . . . . 0.0 109.43 179.092 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.1 -39.07 93.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.681 -0.637 . . . . 0.0 109.354 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 66' ' ' LEU . 70.5 mt -69.03 -39.57 79.16 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -72.68 -20.97 61.14 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.696 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.96 -50.51 19.66 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.265 -0.897 . . . . 0.0 108.767 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.603 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 5.7 mptp? -81.32 2.73 26.95 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.803 -0.561 . . . . 0.0 109.569 178.155 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 58.49 40.52 23.85 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.326 -0.859 . . . . 0.0 109.722 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 85.5 m-85 62.83 51.94 2.85 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.602 -0.687 . . . . 0.0 110.009 178.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.4 m -79.28 162.71 62.91 Favored Pre-proline 0 C--O 1.217 -0.614 0 O-C-N 121.456 -0.777 . . . . 0.0 109.206 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.07 -40.72 4.53 Favored 'Trans proline' 0 C--N 1.349 0.564 0 O-C-N 123.67 1.353 . . . . 0.0 111.318 -179.549 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.8 -43.22 80.19 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.445 -0.784 . . . . 0.0 109.258 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.603 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -63.15 -37.82 88.74 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.502 -0.749 . . . . 0.0 109.473 179.13 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.561 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 8.2 m95 -66.78 -40.5 88.22 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.481 -0.762 . . . . 0.0 109.961 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.594 ' HG3' HG13 ' A' ' 24' ' ' ILE . 6.6 tm-20 -65.42 -40.62 93.57 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.377 -0.827 . . . . 0.0 109.339 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 32' ' ' ASP . 45.1 t -59.4 -41.27 83.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.475 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 146' ' ' GLU . 68.0 t -72.11 -23.65 21.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 O-C-N 121.974 -0.453 . . . . 0.0 109.938 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.673 ' HD2' ' HE2' ' A' ' 21' ' ' MET . 2.4 tpp180 -70.16 -44.71 68.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 120.528 -1.357 . . . . 0.0 108.222 178.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -76.0 -18.2 59.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 0.3 OUTLIER -77.64 -34.48 53.16 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.828 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 143' ' ' VAL . 18.6 mm -77.96 -31.07 16.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.9 ttm -66.42 -47.0 74.64 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.474 -0.766 . . . . 0.0 109.354 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -49.05 65.02 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.894 -0.504 . . . . 0.0 110.033 -178.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.523 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 67.3 m -62.4 -39.42 93.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.561 -0.712 . . . . 0.0 110.136 -179.196 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.918 ' HB3' HD21 ' A' ' 15' ' ' LEU . 43.0 t80 -70.12 -36.18 74.64 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.544 -0.723 . . . . 0.0 109.419 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 66.6 m -69.46 -33.98 73.71 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.431 -0.793 . . . . 0.0 108.96 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.488 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 76.2 mt -66.32 -41.55 89.52 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.647 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 49.2 m -71.24 -35.3 71.39 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.645 -0.659 . . . . 0.0 109.964 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.82 HG21 ' HB3' ' A' ' 11' ' ' SER . 35.8 p -93.09 1.67 57.1 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.475 -0.766 . . . . 0.0 110.172 -178.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 152' ' ' SER . 5.3 t-20 . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.069 -1.019 . . . . 0.0 110.589 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.737 ' HB3' HG21 ' A' ' 155' ' ' THR . 38.7 m . . . . . 0 C--O 1.218 -0.567 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -68.17 -43.79 77.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.42 -0.8 . . . . 0.0 109.974 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 21.9 mmt85 -70.7 -33.92 71.41 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.272 -0.893 . . . . 0.0 110.005 -179.632 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 84' ' ' PHE . 15.6 m -62.52 -42.85 99.79 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.397 -0.814 . . . . 0.0 109.475 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 151' ' ' PHE . 90.0 mt -68.45 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.435 -0.79 . . . . 0.0 109.596 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.73 -39.16 93.22 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.347 -0.846 . . . . 0.0 109.1 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 84' ' ' PHE . 86.1 mt -62.78 -41.89 99.45 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.696 HD12 HD23 ' A' ' 15' ' ' LEU . 50.9 mt -58.47 -35.77 72.68 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.75 -0.594 . . . . 0.0 109.68 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.64 80.82 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.536 -0.728 . . . . 0.0 109.736 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -67.67 -33.97 76.0 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.353 -0.842 . . . . 0.0 109.697 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.475 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 9.3 mtp -67.39 -19.55 65.42 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 121.428 -0.795 . . . . 0.0 110.528 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' C ' ' HD2' ' A' ' 22' ' ' ARG . 6.6 tmm_? -46.41 118.42 1.96 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.151 -0.968 . . . . 0.0 110.463 -179.459 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -38.8 9.54 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.268 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.809 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.6 pt -133.08 170.2 20.48 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 CA-C-O 121.369 0.604 . . . . 0.0 109.679 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -87.67 147.07 25.42 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 -179.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.18 -33.55 76.06 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -65.57 -38.46 89.62 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.526 -0.734 . . . . 0.0 109.249 178.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.8 m -67.83 -24.81 65.32 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.309 -0.869 . . . . 0.0 109.134 178.278 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.809 ' SG ' HD12 ' A' ' 24' ' ' ILE . 55.4 m -108.67 47.93 0.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 O-C-N 121.547 -0.721 . . . . 0.0 109.901 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.694 HD23 ' HD3' ' A' ' 33' ' ' ARG . 83.2 mt -85.36 0.01 53.43 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.265 -0.897 . . . . 0.0 110.241 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.68 -30.34 29.32 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.367 -0.833 . . . . 0.0 109.172 178.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.652 ' O ' HG21 ' A' ' 142' ' ' VAL . 46.0 m-20 -112.73 26.91 10.08 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.651 -0.656 . . . . 0.0 109.436 178.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.694 ' HD3' HD23 ' A' ' 30' ' ' LEU . 52.0 ttp180 -86.33 117.64 25.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.123 -0.986 . . . . 0.0 109.584 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -145.19 127.99 16.31 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.73 138.53 56.32 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.674 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.6 m-85 -87.99 -43.3 11.85 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.666 -0.646 . . . . 0.0 109.846 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 64.63 0.49 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 83.6 t80 -73.45 133.67 80.25 Favored Pre-proline 0 C--O 1.217 -0.642 0 O-C-N 121.582 -0.952 . . . . 0.0 109.053 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 54.8 Cg_endo -82.51 69.61 7.28 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 O-C-N 123.766 1.403 . . . . 0.0 111.045 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.784 ' HG3' HD22 ' A' ' 153' ' ' LEU . 3.6 tm0? -74.3 -22.94 59.05 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.205 -0.935 . . . . 0.0 109.48 178.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -54.65 -26.29 32.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.363 -0.836 . . . . 0.0 109.372 178.143 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' CD ' ' HA ' ' A' ' 115' ' ' SER . 31.8 tt0 -98.17 34.23 2.0 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.21 178.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 20.2 m-85 . . . . . 0 C--O 1.217 -0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.228 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 14.6 t . . . . . 0 C--O 1.215 -0.747 0 CA-C-O 120.754 0.312 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 49.4 mt -57.93 -42.86 97.47 Favored Pre-proline 0 C--O 1.213 -0.851 0 O-C-N 121.054 -1.029 . . . . 0.0 110.589 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.79 -26.42 52.61 Favored 'Trans proline' 0 C--N 1.356 0.967 0 O-C-N 123.214 1.113 . . . . 0.0 110.573 178.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.769 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.49 -44.6 47.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 60' ' ' ILE . 32.2 mt -62.82 -38.94 92.72 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' CD2' HD23 ' A' ' 92' ' ' LEU . 57.0 t-80 -59.4 -50.66 73.1 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.762 -0.586 . . . . 0.0 109.94 -179.112 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.642 ' HG2' HG21 ' A' ' 116' ' ' ILE . 1.1 mp0 -66.22 -28.73 68.96 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.308 -0.87 . . . . 0.0 109.626 179.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.7 ttm -67.34 -39.13 85.76 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 121.338 -0.851 . . . . 0.0 108.706 177.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.739 HG21 ' HG ' ' A' ' 92' ' ' LEU . 25.1 mm -68.23 -29.65 45.13 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.326 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -73.68 -38.26 64.97 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -70.28 -36.83 74.63 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.61 HG23 ' CE1' ' A' ' 67' ' ' PHE . 84.2 mt -76.16 -29.49 19.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.527 ' HA ' HD13 ' A' ' 88' ' ' LEU . 39.3 t80 -64.82 -45.95 84.04 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.293 -0.879 . . . . 0.0 109.381 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' THR . 74.4 m-80 -78.92 -34.29 44.71 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.575 -0.703 . . . . 0.0 109.851 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 130' ' ' LEU . 43.7 tp -62.5 -30.61 71.4 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.61 ' CE1' HG23 ' A' ' 63' ' ' ILE . 15.8 m-85 -98.92 -17.59 18.28 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.603 -0.685 . . . . 0.0 109.859 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 15.0 t -85.64 -18.94 31.81 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.204 -0.935 . . . . 0.0 109.912 178.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' ASN . 3.3 p -53.32 149.34 7.51 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.382 -0.824 . . . . 0.0 109.915 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.43 -26.3 68.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.575 -0.703 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.478 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.2 p30 -74.66 -27.35 60.39 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.544 -0.723 . . . . 0.0 110.018 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.541 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 85.7 p -92.09 -29.72 16.39 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.264 -0.897 . . . . 0.0 109.728 179.472 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.4 t -66.53 -30.22 70.49 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.476 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.74 -25.88 26.17 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.601 -0.687 . . . . 0.0 109.213 178.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -32.78 70.67 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.507 -0.746 . . . . 0.0 110.035 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -118.67 167.47 11.62 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.688 -0.633 . . . . 0.0 109.398 -178.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.49 134.66 53.89 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.232 -0.918 . . . . 0.0 108.906 178.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -23.47 65.82 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -179.013 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -79.88 -45.99 17.63 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.093 -1.004 . . . . 0.0 108.594 178.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 80' ' ' LEU . 80.7 mt -62.39 -38.51 89.88 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.03 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 81' ' ' LEU . 11.7 mt -70.2 -34.58 73.11 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.28 -53.13 57.95 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 53.2 mmtt -65.24 -31.09 72.07 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.323 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.796 ' HA ' HD13 ' A' ' 17' ' ' LEU . 32.1 t80 -65.23 -31.62 72.87 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.599 -0.688 . . . . 0.0 109.239 178.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.5 -36.8 65.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.19 -0.944 . . . . 0.0 109.008 178.179 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -68.52 -38.38 80.86 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.651 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -34.31 72.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.456 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.764 HD11 ' CE2' ' A' ' 84' ' ' PHE . 46.4 mt -71.1 -41.47 70.54 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.67 -0.644 . . . . 0.0 109.513 179.222 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.94 -30.73 64.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.589 -0.694 . . . . 0.0 110.494 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.64 -52.35 15.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.137 -0.977 . . . . 0.0 109.616 -179.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.533 ' NE2' HD12 ' A' ' 60' ' ' ILE . 25.2 pt20 -66.27 -21.98 66.3 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.802 179.011 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.739 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.2 mt -67.12 -46.8 73.04 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 176.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.08 -43.47 91.8 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.22 -40.13 95.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.41 -0.806 . . . . 0.0 109.672 178.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 53' ' ' ILE . 73.0 mt . . . . . 0 C--O 1.217 -0.621 0 O-C-N 121.571 -0.706 . . . . 0.0 109.753 179.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--O 1.214 -0.778 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.415 ' OG ' HG22 ' A' ' 55' ' ' VAL . 4.7 p -64.36 -46.51 83.09 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.501 -0.749 . . . . 0.0 109.342 178.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.769 HG12 ' HA ' ' A' ' 55' ' ' VAL . 74.5 mt -69.27 -34.5 63.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 O-C-N 121.565 -0.71 . . . . 0.0 109.252 178.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.94 71.31 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.449 ' HB1' ' CG ' ' A' ' 39' ' ' PRO . . . -69.18 -48.54 61.9 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.297 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.04 -26.79 39.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -69.37 -45.0 70.37 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.369 -0.832 . . . . 0.0 109.533 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -70.17 -31.8 69.44 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.748 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.5 t80 -63.48 -50.75 68.46 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.555 -0.716 . . . . 0.0 109.353 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -68.68 -28.54 66.95 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.652 -0.655 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.86 -40.85 98.75 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.265 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -68.13 -37.14 80.75 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.748 HD11 ' CE2' ' A' ' 122' ' ' TYR . 53.4 mt -62.04 -38.01 79.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.517 -0.739 . . . . 0.0 109.271 178.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 37.4 m -67.8 -36.97 81.37 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.481 -0.762 . . . . 0.0 109.658 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.3 -44.1 72.48 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.461 -0.774 . . . . 0.0 109.861 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -58.93 -38.43 78.96 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.556 -0.715 . . . . 0.0 109.308 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.47 HD22 ' CE2' ' A' ' 140' ' ' TRP . 45.3 mt -64.66 -45.0 88.59 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.19 -20.34 63.12 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.413 -0.805 . . . . 0.0 109.719 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.53 -50.84 33.44 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.35 -0.844 . . . . 0.0 108.83 178.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -81.84 4.01 23.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.801 -0.562 . . . . 0.0 109.72 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 60.66 40.54 16.34 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.519 -0.738 . . . . 0.0 109.407 -179.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 58.3 m-85 61.51 55.95 2.68 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.665 0.745 . . . . 0.0 109.586 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.449 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 32.1 t -79.96 151.31 73.21 Favored Pre-proline 0 C--O 1.216 -0.705 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.449 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.09 -35.98 50.49 Favored 'Trans proline' 0 C--N 1.352 0.739 0 O-C-N 123.633 1.333 . . . . 0.0 110.913 179.499 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.79 -39.22 70.05 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.417 -0.802 . . . . 0.0 108.894 177.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -64.31 -40.36 95.75 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.656 -0.652 . . . . 0.0 109.241 178.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.541 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.9 m95 -66.46 -32.21 73.43 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.501 -0.75 . . . . 0.0 109.693 178.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.523 ' HG2' HG13 ' A' ' 24' ' ' ILE . 2.5 tp10 -69.79 -35.2 74.68 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.365 -0.834 . . . . 0.0 108.797 178.568 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.652 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.7 t -67.97 -36.43 75.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.47 HG21 HD21 ' A' ' 130' ' ' LEU . 65.5 t -76.46 -25.59 16.4 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 121.708 -0.62 . . . . 0.0 109.844 178.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 145' ' ' ALA . 4.7 ptt85 -67.41 -49.62 63.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.137 -0.977 . . . . 0.0 108.369 178.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' A' ' 144' ' ' ARG . . . -65.41 -34.27 77.91 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.411 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.41 -31.18 66.95 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.574 -0.704 . . . . 0.0 109.75 179.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 143' ' ' VAL . 15.0 mm -77.95 -35.23 20.33 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 121.171 -0.956 . . . . 0.0 109.092 178.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.491 ' HG3' HD22 ' A' ' 15' ' ' LEU . 29.6 ttm -67.81 -42.17 81.97 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.441 -0.787 . . . . 0.0 109.013 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -69.39 -52.92 22.42 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.904 -0.498 . . . . 0.0 109.698 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.507 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 66.0 m -60.18 -35.82 76.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 122.005 -0.434 . . . . 0.0 110.019 -179.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.812 ' HB3' HD21 ' A' ' 15' ' ' LEU . 42.7 t80 -72.2 -38.51 69.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.476 -0.765 . . . . 0.0 109.148 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.529 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 72.3 m -67.12 -30.27 70.24 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.04 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.784 HD22 ' HG3' ' A' ' 40' ' ' GLN . 74.6 mt -71.84 -41.34 68.25 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.579 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 27.1 m -68.14 -35.0 77.38 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.631 -0.668 . . . . 0.0 109.622 179.348 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.737 HG21 ' HB3' ' A' ' 11' ' ' SER . 45.5 p -95.12 1.34 54.87 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.489 -0.757 . . . . 0.0 109.542 179.319 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.0 t-20 . . . . . 0 C--O 1.21 -1.008 0 O-C-N 121.35 -0.844 . . . . 0.0 110.764 -179.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -39.42 78.53 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.719 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -76.39 -39.93 52.35 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.231 -0.918 . . . . 0.0 109.733 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.429 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 92.8 m -63.4 -45.6 90.3 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.431 -0.793 . . . . 0.0 109.322 179.339 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 18' ' ' LEU . 38.4 mt -67.55 -30.04 69.57 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.623 -0.673 . . . . 0.0 109.309 178.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -64.86 -37.87 89.07 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.3 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' ' 84' ' ' PHE . 96.0 mt -62.83 -41.08 99.19 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.696 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.641 HD12 HD23 ' A' ' 15' ' ' LEU . 82.1 mt -62.1 -35.09 77.65 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.621 -0.674 . . . . 0.0 109.503 179.472 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.5 66.56 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.465 -0.772 . . . . 0.0 109.607 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.6 -24.95 65.55 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.451 -0.781 . . . . 0.0 109.669 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.675 ' HG2' ' CE3' ' A' ' 76' ' ' TRP . 41.3 ttm -59.56 -34.6 72.89 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -53.38 110.54 0.57 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.591 -0.693 . . . . 0.0 110.154 -179.451 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -94.15 -39.32 10.63 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.462 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.966 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.1 pt -109.44 170.3 3.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.155 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.1 m -93.8 145.57 24.5 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.482 -0.761 . . . . 0.0 109.265 179.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -62.95 -31.71 72.87 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -66.1 -37.6 86.16 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.528 -0.733 . . . . 0.0 109.027 178.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -65.23 -28.13 69.15 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.966 ' SG ' HD12 ' A' ' 24' ' ' ILE . 64.8 m -112.2 53.53 0.73 Allowed 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.673 -0.642 . . . . 0.0 110.126 -178.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 52.7 mt -85.64 7.59 22.73 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.122 -0.986 . . . . 0.0 110.127 178.659 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.76 -36.96 56.73 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.406 -0.809 . . . . 0.0 108.972 179.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.769 ' O ' HG21 ' A' ' 142' ' ' VAL . 0.4 OUTLIER -114.12 26.97 9.85 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.058 178.884 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 52.9 ttp180 -72.82 122.11 21.03 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.003 -1.061 . . . . 0.0 109.415 179.387 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' HG11 ' A' ' 142' ' ' VAL . 37.2 p-80 -163.16 164.84 25.07 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.455 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -106.06 120.56 42.12 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.474 -0.766 . . . . 0.0 109.205 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.538 ' CE1' ' HA ' ' A' ' 126' ' ' ILE . 54.1 m-85 -65.23 -46.19 81.62 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.345 179.124 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.69 68.22 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.7 t80 -71.6 131.94 85.83 Favored Pre-proline 0 C--O 1.217 -0.653 0 O-C-N 121.519 -0.989 . . . . 0.0 108.934 179.369 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.57 ' CG ' ' HB1' ' A' ' 118' ' ' ALA . 52.3 Cg_endo -81.53 70.65 7.23 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 O-C-N 123.722 1.38 . . . . 0.0 110.952 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.54 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -73.69 -19.99 60.66 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.272 -0.893 . . . . 0.0 109.347 178.478 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -29.08 67.1 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 108.874 177.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -96.43 29.98 2.71 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.053 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 4.6 m-85 . . . . . 0 C--O 1.216 -0.675 0 O-C-N 121.323 -0.861 . . . . 0.0 110.145 -179.382 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.494 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.211 -0.971 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.728 HG23 HD23 ' A' ' 95' ' ' LEU . 37.3 mt -52.69 -45.69 96.5 Favored Pre-proline 0 C--O 1.212 -0.896 0 O-C-N 121.295 -0.878 . . . . 0.0 111.578 -178.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -63.9 -31.23 67.52 Favored 'Trans proline' 0 C--N 1.356 0.963 0 O-C-N 123.138 1.073 . . . . 0.0 110.44 179.107 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.741 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.8 t -78.09 -33.46 18.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.618 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.625 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.2 mt -72.93 -28.26 62.35 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.463 -0.773 . . . . 0.0 109.554 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -76.31 -43.52 40.98 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.27 -179.132 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.1 tp10 -72.78 -33.67 66.44 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 109.403 179.317 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.8 ttt -71.43 -42.55 68.12 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.379 -0.826 . . . . 0.0 109.261 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.631 HG23 HD22 ' A' ' 88' ' ' LEU . 28.5 mt -71.01 -23.57 23.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.221 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.455 HE21 HD13 ' A' ' 92' ' ' LEU . 39.7 mm-40 -72.68 -33.77 66.75 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.51 -36.23 68.32 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.803 -0.561 . . . . 0.0 109.542 178.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.44 HG23 ' CE1' ' A' ' 67' ' ' PHE . 79.0 mt -75.52 -31.42 23.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 121.301 -0.874 . . . . 0.0 108.681 178.067 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.523 ' HA ' HD13 ' A' ' 88' ' ' LEU . 48.1 t80 -63.63 -43.83 95.65 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 121.647 -0.658 . . . . 0.0 109.402 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.726 ' O ' HG23 ' A' ' 69' ' ' THR . 21.0 t-20 -80.34 -39.09 29.27 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.591 -0.693 . . . . 0.0 109.589 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 tp -57.98 -31.86 67.31 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.485 -0.759 . . . . 0.0 109.246 178.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.44 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.8 m-85 -94.52 -28.5 15.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -74.98 -15.74 60.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.308 -0.87 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 65' ' ' ASN . 22.2 p -57.34 153.39 12.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.188 -0.945 . . . . 0.0 109.922 -179.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 3.2 tppp? -64.86 -21.07 66.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.618 -0.676 . . . . 0.0 109.69 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.37 -40.83 49.99 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.409 -0.807 . . . . 0.0 109.62 179.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.465 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 25.5 t -80.02 -32.62 39.58 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.512 -0.742 . . . . 0.0 110.188 -179.649 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 83.3 p -65.1 -37.06 86.26 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.405 -0.809 . . . . 0.0 109.434 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.39 -19.83 35.32 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.46 58.78 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.466 -0.771 . . . . 0.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.675 ' CE3' ' HG2' ' A' ' 21' ' ' MET . 79.7 m95 -119.59 173.75 6.82 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.512 -0.743 . . . . 0.0 109.812 -178.444 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -68.89 130.87 44.02 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -28.1 69.86 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.514 -0.742 . . . . 0.0 110.593 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.8 m -77.76 -44.07 28.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.165 -0.959 . . . . 0.0 108.935 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 80' ' ' LEU . 92.2 mt -63.21 -38.4 91.02 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.588 HD21 ' HE1' ' A' ' 21' ' ' MET . 11.0 mt -71.21 -33.02 69.53 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 121.643 -0.661 . . . . 0.0 109.252 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.71 -53.14 61.17 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.583 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.14 -31.06 72.06 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 88' ' ' LEU . 25.8 t80 -66.6 -30.97 71.38 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.662 -0.649 . . . . 0.0 109.608 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.07 -36.3 59.04 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.12 -0.987 . . . . 0.0 109.136 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.2 m -68.22 -39.75 82.28 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.587 -0.696 . . . . 0.0 109.572 -179.462 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -71.42 -33.92 69.85 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.604 179.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 84' ' ' PHE . 65.2 mt -67.87 -40.87 83.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 121.41 -0.806 . . . . 0.0 109.316 178.696 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -72.37 -34.47 67.97 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.542 -0.724 . . . . 0.0 110.331 -179.276 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.69 -51.46 62.37 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.235 -0.916 . . . . 0.0 109.182 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.17 -27.49 67.33 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.1 mt -69.15 -34.58 75.21 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.482 -0.761 . . . . 0.0 109.456 178.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.25 -39.06 68.72 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.38 -39.25 81.83 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 109.252 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.728 HD23 HG23 ' A' ' 53' ' ' ILE . 54.3 mt . . . . . 0 C--O 1.216 -0.69 0 O-C-N 121.734 -0.604 . . . . 0.0 110.348 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.214 -0.778 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.718 ' HB3' HG21 ' A' ' 55' ' ' VAL . 20.6 t -66.89 -35.56 80.28 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.741 HG12 ' HA ' ' A' ' 55' ' ' VAL . 58.3 mt -70.13 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.394 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -35.61 78.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.57 ' HB1' ' CG ' ' A' ' 39' ' ' PRO . . . -65.68 -44.05 87.4 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 81.4 t -66.88 -24.38 32.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.35 -46.54 69.88 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.407 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 121' ' ' LYS . 75.4 mmtt -70.39 -30.94 67.97 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.346 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.67 ' CE2' HD11 ' A' ' 126' ' ' ILE . 61.7 t80 -65.94 -48.81 70.12 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.545 -0.722 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -71.67 -22.31 61.68 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.727 -0.608 . . . . 0.0 110.015 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.03 -40.02 82.99 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -69.52 -38.99 77.79 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.67 HD11 ' CE2' ' A' ' 122' ' ' TYR . 68.6 mt -62.1 -41.95 93.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 O-C-N 121.637 -0.665 . . . . 0.0 109.555 178.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.415 ' HA ' HD12 ' A' ' 130' ' ' LEU . 91.0 m -67.56 -39.83 84.92 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.411 -0.806 . . . . 0.0 109.571 -179.535 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.8 -47.17 84.62 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.47 -0.769 . . . . 0.0 110.17 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.538 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 11.3 t80 -60.77 -35.0 75.31 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.482 -0.761 . . . . 0.0 109.398 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.429 HD21 HG21 ' A' ' 143' ' ' VAL . 36.5 mt -67.39 -39.74 85.61 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.587 -0.696 . . . . 0.0 109.227 178.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' HE3' HG22 ' A' ' 127' ' ' THR . 76.3 mttt -71.94 -25.74 62.0 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.283 -0.886 . . . . 0.0 109.611 178.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.37 -51.33 30.66 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.389 -0.819 . . . . 0.0 109.557 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -80.83 2.87 24.56 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.6 -0.687 . . . . 0.0 109.722 178.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 60.71 39.63 17.22 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.076 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 61.32 50.51 4.72 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.582 -0.699 . . . . 0.0 110.312 177.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.481 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.7 m -79.62 162.98 61.02 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.403 -0.81 . . . . 0.0 109.123 178.186 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -67.97 -37.63 14.76 Favored 'Trans proline' 0 C--N 1.351 0.677 0 O-C-N 123.637 1.335 . . . . 0.0 111.455 -179.241 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.46 -42.15 71.86 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.324 -0.86 . . . . 0.0 109.24 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.76 -37.74 85.42 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.465 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 20.2 m95 -68.29 -33.04 73.62 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.546 -0.721 . . . . 0.0 109.726 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -63.46 -40.32 96.8 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.342 -0.848 . . . . 0.0 108.909 178.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 32' ' ' ASP . 78.0 t -65.13 -44.44 95.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.139 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.597 HG13 ' CG2' ' A' ' 126' ' ' ILE . 88.1 t -69.23 -22.14 25.66 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 O-C-N 121.934 -0.479 . . . . 0.0 110.074 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.45 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 25.4 ttp85 -72.51 -47.04 51.69 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.972 -1.08 . . . . 0.0 108.823 179.229 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.88 -34.38 77.66 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.459 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 53.8 mm-40 -70.68 -37.06 73.61 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.802 -0.561 . . . . 0.0 110.069 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 11.8 mm -73.17 -34.7 45.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.364 -0.835 . . . . 0.0 109.619 179.283 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.1 ttm -70.69 -38.99 73.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.447 -0.783 . . . . 0.0 109.203 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -70.49 -46.32 63.96 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 121.6 -0.687 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.525 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.3 p -63.69 -39.63 94.81 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.667 -0.645 . . . . 0.0 110.011 -179.455 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' A' ' 15' ' ' LEU . 19.9 t80 -72.14 -36.4 69.34 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.466 -0.771 . . . . 0.0 110.02 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 79.1 p -70.94 -33.58 70.63 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.385 -0.822 . . . . 0.0 108.94 178.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.54 HD22 ' HG3' ' A' ' 40' ' ' GLN . 41.4 mt -67.89 -40.03 83.58 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.584 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . 0.625 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 67.7 m -70.26 -36.94 74.78 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.82 -0.55 . . . . 0.0 110.275 -179.007 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.8 p -94.69 1.61 55.52 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.538 -179.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.214 -0.81 0 O-C-N 121.04 -1.037 . . . . 0.0 111.16 -179.23 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.601 ' HB3' ' HB ' ' A' ' 103' ' ' VAL . 1.4 p . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 121.505 0.669 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -149.0 56.89 1.02 Allowed 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.847 HD21 HG21 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -96.76 -55.22 0.21 Allowed Pre-proline 0 C--O 1.217 -0.627 0 O-C-N 121.633 -0.667 . . . . 0.0 109.257 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 52.3 Cg_endo -81.85 113.2 2.46 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 123.242 1.127 . . . . 0.0 110.082 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -122.87 67.11 0.96 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.475 -0.766 . . . . 0.0 109.442 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.4 p -133.98 -74.43 0.48 Allowed 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.401 -0.812 . . . . 0.0 109.449 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -126.33 -179.55 4.8 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.277 -0.89 . . . . 0.0 109.71 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -157.91 24.12 0.27 Allowed 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.637 -0.665 . . . . 0.0 110.094 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.9 mt -119.0 37.29 4.16 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.383 -0.823 . . . . 0.0 109.496 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.31 -30.37 50.26 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.657 ' HB2' HG21 ' A' ' 155' ' ' THR . 79.3 p -66.57 -40.05 88.78 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.398 -1.06 . . . . 0.0 109.891 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -63.05 -36.77 84.67 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.505 -0.747 . . . . 0.0 109.191 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 62.7 mtt85 -71.8 -37.06 70.45 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.399 -0.813 . . . . 0.0 109.492 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.428 HG22 ' HE1' ' A' ' 84' ' ' PHE . 13.0 m -59.42 -42.92 92.95 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.432 -0.792 . . . . 0.0 109.251 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.942 HD23 HD12 ' A' ' 18' ' ' LEU . 91.6 mt -74.46 -32.84 62.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.618 -0.676 . . . . 0.0 109.632 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.3 ttp -61.64 -35.08 76.9 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 84' ' ' PHE . 90.0 mt -67.46 -45.66 75.34 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.942 HD12 HD23 ' A' ' 15' ' ' LEU . 55.5 mt -58.72 -30.86 67.78 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.618 ' O ' ' HG2' ' A' ' 22' ' ' ARG . . . -70.02 -50.02 45.56 Favored 'General case' 0 C--O 1.211 -0.956 0 O-C-N 121.52 -0.737 . . . . 0.0 109.722 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -68.51 -21.0 64.61 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 120.986 -1.071 . . . . 0.0 109.898 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.559 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 53.7 mtp -73.39 -26.52 61.03 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.423 -0.798 . . . . 0.0 111.202 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 19.5 ptt-85 -64.27 124.18 21.05 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 120.702 -1.249 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.5 mptm? -90.67 -36.37 14.39 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.001 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pt -115.9 170.49 5.69 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 CA-C-O 121.399 0.619 . . . . 0.0 109.363 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.7 m -97.03 154.07 17.54 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.648 -0.657 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD21 ' NE ' ' A' ' 33' ' ' ARG . 52.8 tp -63.22 -29.62 70.92 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -68.82 -38.13 79.66 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -66.51 -27.89 68.13 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.449 -0.782 . . . . 0.0 108.896 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.001 ' SG ' HD12 ' A' ' 24' ' ' ILE . 35.5 m -112.84 53.37 0.75 Allowed 'General case' 0 C--O 1.22 -0.491 0 O-C-N 121.424 -0.798 . . . . 0.0 110.214 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.6 mt -83.03 3.18 31.38 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.172 -0.955 . . . . 0.0 109.816 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -81.86 -31.4 31.58 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.418 -0.801 . . . . 0.0 108.938 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.646 ' O ' HG21 ' A' ' 142' ' ' VAL . 66.7 m-20 -102.99 21.86 14.96 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.676 -0.64 . . . . 0.0 109.752 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' NE ' HD21 ' A' ' 26' ' ' LEU . 14.7 tpp85 -62.46 115.28 4.09 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.103 -0.998 . . . . 0.0 109.284 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -154.59 108.4 2.93 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -75.45 112.92 12.26 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.554 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 51.5 m-85 -63.44 -37.79 88.66 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.578 -0.701 . . . . 0.0 109.437 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.76 74.62 1.01 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 79.0 t80 -61.84 132.5 93.42 Favored Pre-proline 0 C--O 1.216 -0.666 0 O-C-N 121.543 -0.974 . . . . 0.0 108.46 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.836 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 49.8 Cg_endo -80.89 76.38 4.55 Favored 'Trans proline' 0 C--N 1.349 0.582 0 O-C-N 123.732 1.385 . . . . 0.0 110.857 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.526 ' OE1' HD22 ' A' ' 153' ' ' LEU . 4.9 tt0 -81.52 -4.7 56.7 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.381 -0.824 . . . . 0.0 109.326 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.03 -32.32 69.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.147 -0.97 . . . . 0.0 108.731 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 115' ' ' SER . 2.2 tp10 -99.22 23.21 9.45 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.567 -0.708 . . . . 0.0 109.311 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.612 ' O ' HD21 ' A' ' 157' ' ' LEU . 32.4 m-85 -137.35 23.44 2.97 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.373 -0.83 . . . . 0.0 109.302 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -122.86 -16.23 3.71 Favored Glycine 0 CA--C 1.536 1.353 0 O-C-N 120.939 -1.101 . . . . 0.0 111.394 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -151.23 138.63 19.46 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.055 -1.262 . . . . 0.0 109.801 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 68.02 33.61 4.49 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.214 0.531 . . . . 0.0 109.854 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.66 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 71.0 m-85 -148.09 44.27 1.06 Allowed 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.182 -0.948 . . . . 0.0 109.248 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.602 ' CG ' HD12 ' A' ' 157' ' ' LEU . 70.7 mt-30 -138.37 31.2 2.36 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.414 -0.804 . . . . 0.0 109.95 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -150.28 58.32 0.96 Allowed 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.392 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 59.09 34.71 23.53 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.473 -0.767 . . . . 0.0 109.717 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -30.05 6.73 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.307 -0.87 . . . . 0.0 109.819 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.66 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 8.8 t -100.0 5.11 45.13 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.352 -0.842 . . . . 0.0 109.922 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.766 HG23 HD23 ' A' ' 95' ' ' LEU . 56.7 mt -57.17 -43.48 99.27 Favored Pre-proline 0 C--O 1.215 -0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 110.128 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -65.06 -25.69 58.59 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 123.08 1.042 . . . . 0.0 110.163 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.825 ' HA ' HG12 ' A' ' 116' ' ' ILE . 17.0 t -77.23 -41.14 30.33 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.9 mt -66.29 -30.47 70.9 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -69.39 -49.69 52.94 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.449 -0.782 . . . . 0.0 109.48 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.568 ' HG3' HD13 ' A' ' 116' ' ' ILE . 8.1 mm-40 -68.3 -30.03 68.94 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.739 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.453 ' HE1' ' O ' ' A' ' 150' ' ' SER . 3.0 ttt -67.41 -50.75 58.12 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.628 HG23 ' CD2' ' A' ' 88' ' ' LEU . 13.7 mt -66.63 -21.28 28.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 121.623 -0.673 . . . . 0.0 109.472 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.0 -40.13 63.16 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.48 -35.84 78.09 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.493 -0.755 . . . . 0.0 109.463 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.51 HG23 ' CE1' ' A' ' 67' ' ' PHE . 81.0 mt -73.53 -32.52 36.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.65 ' HA ' HD13 ' A' ' 88' ' ' LEU . 51.7 t80 -62.16 -42.78 99.59 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.529 -0.732 . . . . 0.0 109.734 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.746 ' O ' HG23 ' A' ' 69' ' ' THR . 2.2 t-20 -80.2 -40.22 27.61 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.518 -0.739 . . . . 0.0 109.57 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 130' ' ' LEU . 32.0 tp -56.88 -32.46 65.88 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.479 -0.763 . . . . 0.0 109.428 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.51 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.8 m-85 -96.24 -27.15 15.14 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.629 -0.67 . . . . 0.0 110.073 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.472 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 22.9 t -72.63 -23.03 60.87 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.254 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 65' ' ' ASN . 36.1 p -53.09 146.66 10.93 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.758 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -62.26 -20.62 64.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.524 -0.735 . . . . 0.0 109.928 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.06 -39.97 60.56 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.435 -0.791 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -83.26 -28.1 29.4 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.503 -0.748 . . . . 0.0 109.404 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.516 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 30.9 t -67.62 -33.88 75.87 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.462 -0.774 . . . . 0.0 109.196 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.37 26.97 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.15 62.78 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.931 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 63.7 m95 -122.67 166.84 14.24 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.485 -0.759 . . . . 0.0 109.779 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.21 129.21 39.73 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -61.8 -24.37 66.81 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.603 -0.685 . . . . 0.0 110.316 -179.529 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -80.69 -45.83 16.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.157 -0.964 . . . . 0.0 108.828 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 80' ' ' LEU . 87.6 mt -62.51 -35.5 79.58 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HA ' HD23 ' A' ' 81' ' ' LEU . 11.3 mt -74.28 -34.41 63.55 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 55.9 t0 -55.0 -52.86 61.82 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -65.39 -33.6 76.34 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.838 ' CE2' HD11 ' A' ' 88' ' ' LEU . 36.6 t80 -65.51 -28.37 69.14 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.794 -0.566 . . . . 0.0 109.751 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -76.03 -39.11 56.35 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.04 -1.038 . . . . 0.0 108.872 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.9 m -68.27 -33.41 74.31 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.626 -0.671 . . . . 0.0 109.192 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 14' ' ' THR . 16.1 tp10 -74.22 -38.02 63.68 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.51 -0.744 . . . . 0.0 109.087 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.838 HD11 ' CE2' ' A' ' 84' ' ' PHE . 74.6 mt -65.09 -39.6 93.42 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.478 -0.764 . . . . 0.0 109.078 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.496 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -75.21 -24.82 57.81 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.537 -0.727 . . . . 0.0 109.78 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -71.21 -49.4 43.88 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.191 -0.943 . . . . 0.0 108.573 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.13 -28.12 67.04 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 15.6 mt -72.16 -33.63 67.86 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.297 -0.877 . . . . 0.0 109.498 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.38 -43.14 67.46 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 109.376 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -67.69 -46.82 71.21 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.508 -0.745 . . . . 0.0 109.114 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.766 HD23 HG23 ' A' ' 53' ' ' ILE . 77.3 mt -60.05 -33.13 71.62 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.918 -0.489 . . . . 0.0 109.931 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.534 ' O ' HG12 ' A' ' 100' ' ' ILE . 88.7 tt0 -76.73 -38.58 54.0 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.43 -0.794 . . . . 0.0 110.079 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.16 -47.45 35.02 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.785 -0.572 . . . . 0.0 110.457 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.559 ' O ' HG23 ' A' ' 103' ' ' VAL . 65.0 m -62.18 -42.97 99.78 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.376 -0.828 . . . . 0.0 109.204 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.64 -30.81 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 121.704 -0.623 . . . . 0.0 110.419 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 96' ' ' GLU . 44.4 mm -58.47 -56.26 17.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.404 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.808 ' HB2' HG22 ' A' ' 103' ' ' VAL . 79.7 mm-40 -74.83 173.94 9.9 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 121.48 -0.762 . . . . 0.0 109.284 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.0 -26.21 60.63 Favored Glycine 0 CA--C 1.537 1.455 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.847 HG21 HD21 ' A' ' 3' ' ' LEU . 16.4 m -57.73 166.7 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 O-C-N 121.594 -0.945 . . . . 0.0 110.158 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.4 -62.08 3.51 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 105' ' ' VAL . 34.4 m -102.68 116.49 46.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 O-C-N 121.798 -0.825 . . . . 0.0 108.845 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.3 p -125.67 -159.29 0.89 Allowed 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.415 -0.803 . . . . 0.0 109.247 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.99 -27.65 8.19 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.503 -0.748 . . . . 0.0 110.104 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.1 m -38.98 125.47 1.23 Allowed Pre-proline 0 C--O 1.218 -0.571 0 O-C-N 121.939 -0.476 . . . . 0.0 110.193 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.481 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 43.0 Cg_endo -69.84 174.38 9.65 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 O-C-N 124.136 1.598 . . . . 0.0 111.154 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 110' ' ' LEU . 76.6 mt -53.22 -8.94 0.13 Allowed 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.847 -0.533 . . . . 0.0 111.746 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.481 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 14.4 ptm -48.95 -29.8 5.21 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 120.959 -1.088 . . . . 0.0 110.175 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -58.08 -27.92 64.1 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.333 -0.855 . . . . 0.0 110.004 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.89 -28.44 69.54 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 121.492 -0.755 . . . . 0.0 110.082 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -54.44 -33.46 59.55 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.178 -0.951 . . . . 0.0 109.848 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.686 ' HB2' HG21 ' A' ' 55' ' ' VAL . 67.6 m -67.89 -41.34 82.89 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.358 -0.839 . . . . 0.0 109.149 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.825 HG12 ' HA ' ' A' ' 55' ' ' VAL . 14.1 mt -75.71 -37.26 35.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 120' ' ' ARG . 0.9 OUTLIER -64.94 -31.37 72.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.836 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -72.17 -48.1 45.93 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.171 -0.956 . . . . 0.0 108.61 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.76 -31.27 51.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 121.773 -0.58 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.61 -35.93 67.97 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 120.838 -1.164 . . . . 0.0 109.581 -178.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 120' ' ' ARG . 56.1 mtmt -73.07 -31.67 64.54 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.198 -0.939 . . . . 0.0 108.642 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.714 ' CE2' HD11 ' A' ' 126' ' ' ILE . 80.7 t80 -64.77 -50.7 65.78 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.469 ' CE2' HG12 ' A' ' 63' ' ' ILE . 23.1 m-85 -67.73 -26.85 66.35 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.782 -0.574 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -63.23 -42.04 99.19 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.67 -38.06 83.23 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.714 HD11 ' CE2' ' A' ' 122' ' ' TYR . 67.0 mt -60.8 -38.81 79.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 O-C-N 121.573 -0.704 . . . . 0.0 109.167 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 m -66.56 -40.36 88.97 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.392 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 128' ' ' LEU . 6.2 tt -62.4 -45.06 94.85 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.416 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.3 t80 -58.6 -35.21 72.07 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.674 -0.641 . . . . 0.0 109.569 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 66' ' ' LEU . 83.5 mt -69.34 -42.44 75.29 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -69.66 -26.06 64.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.909 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.59 -49.38 21.93 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.378 -0.826 . . . . 0.0 109.37 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.644 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.2 mptt -82.26 3.0 29.23 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 109.716 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 56.16 46.81 20.73 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.417 -0.802 . . . . 0.0 109.197 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.95 49.21 16.3 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.665 -0.647 . . . . 0.0 109.724 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 133' ' ' LYS . 46.7 t -72.46 150.44 91.52 Favored Pre-proline 0 C--O 1.216 -0.684 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.45 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.4 -30.82 62.61 Favored 'Trans proline' 0 C--N 1.352 0.721 0 O-C-N 123.583 1.307 . . . . 0.0 110.759 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.07 -41.1 51.57 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.644 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.75 -38.52 90.87 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 109.082 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.613 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 13.6 m95 -67.43 -33.09 74.44 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.577 -0.702 . . . . 0.0 109.76 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.591 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -67.23 -46.48 73.65 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.646 HG21 ' O ' ' A' ' 32' ' ' ASP . 72.9 t -60.25 -40.67 84.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 139' ' ' ALA . 91.5 t -69.83 -26.08 29.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 121.676 -0.64 . . . . 0.0 109.478 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.701 ' NH1' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -66.3 -50.6 63.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.275 -0.891 . . . . 0.0 108.826 178.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.72 -33.48 75.72 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.433 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 47.2 mm-40 -68.26 -36.78 79.96 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.617 -0.677 . . . . 0.0 109.833 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 143' ' ' VAL . 21.4 mm -72.83 -36.97 53.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 121.355 -0.841 . . . . 0.0 109.108 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.436 ' HG3' HD22 ' A' ' 15' ' ' LEU . 31.7 ttm -65.03 -45.13 86.75 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.492 -0.755 . . . . 0.0 109.904 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -69.84 -43.8 71.24 Favored 'General case' 0 C--O 1.211 -0.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.918 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.543 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 64.2 p -63.32 -40.43 97.31 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.466 -0.771 . . . . 0.0 109.876 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.941 ' HB3' HD21 ' A' ' 15' ' ' LEU . 45.6 t80 -71.44 -39.15 71.19 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.44 -0.787 . . . . 0.0 109.969 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.403 ' HB3' HD13 ' A' ' 15' ' ' LEU . 65.3 p -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.478 -0.764 . . . . 0.0 109.162 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.526 HD22 ' OE1' ' A' ' 40' ' ' GLN . 56.1 mt -71.87 -37.94 70.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 3.7 m -75.02 -32.85 61.7 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.548 -0.72 . . . . 0.0 109.821 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.657 HG21 ' HB2' ' A' ' 11' ' ' SER . 34.0 p -89.79 -5.82 56.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.348 -0.845 . . . . 0.0 110.49 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.488 HD21 HD21 ' A' ' 161' ' ' LEU . 3.8 t-20 -61.98 -20.98 64.45 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.164 -0.96 . . . . 0.0 109.587 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.638 HD22 ' N ' ' A' ' 157' ' ' LEU . 2.9 mm? -78.96 -10.41 59.81 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.294 -0.879 . . . . 0.0 110.278 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -109.72 -85.95 0.53 Allowed 'General case' 0 C--O 1.216 -0.694 0 O-C-N 120.981 -1.074 . . . . 0.0 110.504 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -134.13 6.15 3.6 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.275 -0.89 . . . . 0.0 111.049 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.434 ' HB3' ' HA ' ' A' ' 156' ' ' ASN . 31.3 t -71.89 70.15 0.73 Allowed 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.366 -0.834 . . . . 0.0 109.439 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.488 HD21 HD21 ' A' ' 156' ' ' ASN . 23.5 mt -135.98 119.36 16.82 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.527 -0.733 . . . . 0.0 109.248 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -78.96 -6.29 55.91 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.096 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.4 p -73.11 88.72 1.45 Allowed 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.265 -0.897 . . . . 0.0 109.473 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -163.03 70.38 0.25 Allowed 'General case' 0 C--O 1.219 -0.526 0 O-C-N 121.467 -0.771 . . . . 0.0 109.218 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.886 -1.054 . . . . 0.0 109.31 179.74 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.582 ' HB2' HG21 ' A' ' 103' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.61 0.719 . . . . 0.0 109.694 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -128.18 94.05 3.81 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.4 mm? -58.16 -55.03 49.58 Favored Pre-proline 0 C--O 1.216 -0.686 0 O-C-N 121.681 -0.637 . . . . 0.0 109.693 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.6 Cg_endo -73.26 92.12 0.84 Allowed 'Trans proline' 0 C--N 1.356 0.93 0 O-C-N 123.581 1.306 . . . . 0.0 110.302 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -91.58 80.68 5.37 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.442 -0.786 . . . . 0.0 109.066 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.1 p -128.14 34.75 4.53 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.51 -0.744 . . . . 0.0 109.417 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -116.2 -173.62 2.4 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.365 -0.835 . . . . 0.0 109.558 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -70.56 148.04 48.62 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.279 -0.888 . . . . 0.0 109.265 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 9' ' ' LEU . 6.7 mp -82.86 135.44 34.93 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.451 -0.78 . . . . 0.0 109.597 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.22 -29.57 73.32 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m -62.72 -34.37 77.02 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.708 -0.877 . . . . 0.0 109.514 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.45 -42.43 87.62 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.592 -0.693 . . . . 0.0 109.868 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -74.19 -40.9 62.21 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.432 -0.793 . . . . 0.0 110.079 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 17' ' ' LEU . 57.9 m -62.71 -45.83 90.93 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.366 -0.834 . . . . 0.0 109.605 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.832 HD21 ' HB3' ' A' ' 151' ' ' PHE . 41.7 mt -66.99 -33.31 75.29 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.712 -0.617 . . . . 0.0 109.598 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -64.81 -40.16 94.76 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.261 -0.9 . . . . 0.0 108.792 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.854 HD11 ' HG3' ' A' ' 87' ' ' GLU . 53.5 mt -60.49 -47.24 86.99 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 84' ' ' PHE . 82.7 mt -58.54 -37.7 76.24 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.818 -0.552 . . . . 0.0 109.614 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.72 -46.63 89.66 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.634 -0.666 . . . . 0.0 109.683 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -73.67 -21.35 60.29 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.508 -0.745 . . . . 0.0 110.136 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.519 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -70.91 -22.81 62.2 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 121.287 -0.883 . . . . 0.0 110.717 -179.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB3' ' NH2' ' A' ' 22' ' ' ARG . 12.0 ttp-105 -63.92 116.61 5.99 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.932 -1.105 . . . . 0.0 109.792 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HD2' ' O ' ' A' ' 21' ' ' MET . 2.1 mptm? -92.67 -36.28 13.04 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.628 -0.67 . . . . 0.0 109.643 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.1 pt -114.22 165.29 9.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 121.65 0.738 . . . . 0.0 110.305 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -84.49 140.63 31.33 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.623 -0.673 . . . . 0.0 109.223 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.54 ' O ' HD13 ' A' ' 30' ' ' LEU . 43.3 tp -59.84 -39.14 84.13 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.783 ' HA ' HD13 ' A' ' 30' ' ' LEU . 91.1 m-85 -58.2 -41.23 83.54 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -59.03 -33.41 70.71 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.866 ' SG ' HD12 ' A' ' 24' ' ' ILE . 68.2 m -101.88 50.92 0.84 Allowed 'General case' 0 C--O 1.219 -0.525 0 O-C-N 121.825 -0.547 . . . . 0.0 109.602 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.783 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.84 7.34 27.52 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.316 -0.865 . . . . 0.0 109.715 178.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -101.87 -21.63 14.52 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.241 -0.912 . . . . 0.0 109.2 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.721 ' O ' HG21 ' A' ' 142' ' ' VAL . 11.5 t70 -112.4 26.72 10.29 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.519 -0.738 . . . . 0.0 109.594 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -87.09 122.29 30.7 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.057 -1.027 . . . . 0.0 109.531 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -141.17 147.99 39.3 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.599 -0.688 . . . . 0.0 109.571 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.76 126.91 33.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.528 -0.733 . . . . 0.0 109.309 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.4 m-85 -85.34 -51.37 6.61 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.594 -0.691 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.62 67.02 0.53 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 85.2 t80 -76.59 131.8 73.51 Favored Pre-proline 0 C--O 1.217 -0.621 0 O-C-N 121.548 -0.972 . . . . 0.0 108.826 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 55.1 Cg_endo -80.59 70.73 7.4 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 O-C-N 123.808 1.425 . . . . 0.0 111.459 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.668 ' HG2' HD22 ' A' ' 153' ' ' LEU . 41.8 tp60 -79.45 -22.89 43.55 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.202 -0.937 . . . . 0.0 108.996 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -28.82 65.39 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.28 -0.887 . . . . 0.0 109.167 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.1 35.91 2.26 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CD2' ' HA ' ' A' ' 154' ' ' SER . 1.3 m-85 -134.14 -21.64 1.84 Allowed 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.362 -0.836 . . . . 0.0 111.621 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 1.01 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -90.04 -61.46 1.34 Allowed Glycine 0 C--O 1.216 -0.991 0 O-C-N 120.985 -1.072 . . . . 0.0 110.803 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -76.67 140.26 40.84 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.68 -0.894 . . . . 0.0 110.39 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 58.76 33.47 23.09 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.739 -0.601 . . . . 0.0 110.613 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.723 ' HB3' HG23 ' A' ' 52' ' ' THR . 61.4 m-85 -148.37 46.08 1.05 Allowed 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.209 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.719 ' CG ' HD12 ' A' ' 157' ' ' LEU . 27.8 mt-30 -133.58 159.85 39.22 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.306 -0.871 . . . . 0.0 109.467 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 31.8 mmmt 62.29 60.84 1.37 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.432 -0.793 . . . . 0.0 109.402 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . 65.21 71.72 0.44 Allowed 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.636 -0.665 . . . . 0.0 109.989 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 25.6 mt-10 -142.14 -48.5 0.36 Allowed 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.436 -0.79 . . . . 0.0 109.13 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.723 HG23 ' HB3' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -87.68 -0.49 56.97 Favored 'General case' 0 C--O 1.21 -0.98 0 O-C-N 121.87 -0.519 . . . . 0.0 110.011 178.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.81 HG23 HD23 ' A' ' 95' ' ' LEU . 22.9 mt -54.57 -46.05 99.32 Favored Pre-proline 0 C--O 1.213 -0.839 0 O-C-N 120.982 -1.074 . . . . 0.0 110.496 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.1 Cg_endo -67.56 -32.24 31.71 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.204 1.107 . . . . 0.0 110.679 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.768 ' HA ' HG12 ' A' ' 116' ' ' ILE . 6.0 t -71.51 -44.88 70.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.597 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 86.9 mt -62.25 -35.61 79.47 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.468 ' O ' HD21 ' A' ' 92' ' ' LEU . 61.5 t-80 -59.76 -53.57 56.43 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.759 -0.588 . . . . 0.0 109.731 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 116' ' ' ILE . 3.4 mt-10 -69.27 -23.66 63.87 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.213 -0.93 . . . . 0.0 109.614 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 ttt -70.13 -35.78 74.33 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.316 -0.865 . . . . 0.0 108.746 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.627 HG23 ' CD2' ' A' ' 88' ' ' LEU . 15.3 mm -70.43 -33.1 52.41 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -68.94 -34.22 74.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.435 -0.791 . . . . 0.0 108.963 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -71.65 -41.52 68.69 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.431 -0.793 . . . . 0.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.539 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.9 mt -73.64 -25.11 20.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.337 -0.852 . . . . 0.0 108.797 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' HA ' HD13 ' A' ' 88' ' ' LEU . 24.6 t80 -68.03 -47.12 69.3 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.328 -0.858 . . . . 0.0 109.285 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.568 ' O ' HG23 ' A' ' 69' ' ' THR . 43.2 t30 -77.69 -34.96 52.64 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.544 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 130' ' ' LEU . 52.9 tp -61.85 -28.85 69.78 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 121.396 -0.815 . . . . 0.0 109.499 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.7 m-85 -101.25 -21.78 14.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.388 -0.82 . . . . 0.0 109.926 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 8.6 t -80.17 -22.74 41.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.831 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 65' ' ' ASN . 2.4 p -50.54 147.26 4.71 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 110.007 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.52 -26.62 68.65 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.848 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.459 ' HB2' ' CG ' ' A' ' 135' ' ' TYR . 1.4 p30 -74.45 -15.51 60.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.165 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.472 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.4 m -104.99 -32.96 8.5 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.338 -0.851 . . . . 0.0 109.587 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 59.9 m -64.32 -31.72 73.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.649 -0.657 . . . . 0.0 109.335 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.46 -29.99 25.63 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.31 87.08 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.693 -0.63 . . . . 0.0 110.05 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.401 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 68.2 m95 -114.27 173.88 6.23 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.602 -0.686 . . . . 0.0 109.856 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.75 132.55 45.51 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.4 pp20? -64.33 -26.38 68.45 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.439 -0.788 . . . . 0.0 110.3 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -78.68 -45.03 22.3 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.12 -0.988 . . . . 0.0 108.728 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 80' ' ' LEU . 92.5 mt -62.42 -39.46 93.37 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.84 -33.11 70.33 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 10.6 t70 -55.76 -51.49 67.19 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 74.4 mmtt -65.22 -35.11 80.03 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.847 ' HA ' HD13 ' A' ' 17' ' ' LEU . 26.2 t80 -63.66 -30.36 71.48 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.712 -0.618 . . . . 0.0 109.616 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 24.6 m-85 -75.26 -43.71 49.94 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.048 -1.033 . . . . 0.0 109.396 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -64.83 -35.3 80.66 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.561 -0.712 . . . . 0.0 109.922 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.854 ' HG3' HD11 ' A' ' 17' ' ' LEU . 60.2 mm-40 -73.94 -31.94 63.27 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.236 -0.915 . . . . 0.0 109.533 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 84' ' ' PHE . 59.4 mt -69.92 -41.37 74.72 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.506 -0.746 . . . . 0.0 109.747 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.497 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 11.6 t80 -77.34 -33.93 55.32 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.264 -0.897 . . . . 0.0 110.134 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -65.53 -47.26 76.52 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.226 -0.922 . . . . 0.0 108.707 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -66.84 -28.62 68.49 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.508 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.6 mt -68.34 -35.56 77.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.543 -0.723 . . . . 0.0 109.48 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.23 -42.11 76.11 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.392 -0.818 . . . . 0.0 109.236 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.35 -41.33 85.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.485 -0.759 . . . . 0.0 109.451 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.81 HD23 HG23 ' A' ' 53' ' ' ILE . 63.3 mt -65.25 -36.81 85.27 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.829 -0.544 . . . . 0.0 110.316 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.494 ' HG3' HG13 ' A' ' 100' ' ' ILE . 47.9 tp10 -74.9 -28.66 60.72 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.453 -0.78 . . . . 0.0 110.266 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 1' ' ' CYS . . . -54.45 -42.95 71.21 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.335 -0.853 . . . . 0.0 110.101 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.0 m -67.76 -37.14 81.71 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.333 -0.854 . . . . 0.0 109.502 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.77 -32.7 53.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 O-C-N 121.548 -0.72 . . . . 0.0 109.95 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.494 HG13 ' HG3' ' A' ' 96' ' ' GLU . 86.3 mt -73.32 -55.23 13.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 121.253 -0.904 . . . . 0.0 109.696 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.508 ' HB2' HG23 ' A' ' 103' ' ' VAL . 77.4 mm-40 -71.37 179.09 3.07 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.638 -0.664 . . . . 0.0 110.205 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.38 47.43 2.84 Favored Glycine 0 CA--C 1.532 1.115 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.661 HG12 ' H ' ' A' ' 104' ' ' GLY . 3.1 t -86.22 177.93 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 O-C-N 121.469 -1.018 . . . . 0.0 108.348 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.661 ' H ' HG12 ' A' ' 103' ' ' VAL . . . -51.25 108.54 0.59 Allowed Glycine 0 CA--C 1.534 1.245 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.0 t -146.49 149.93 15.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 O-C-N 121.693 -0.886 . . . . 0.0 108.712 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 109' ' ' PRO . 37.6 p -64.25 120.09 11.5 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 109.731 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -74.36 -68.34 0.54 Allowed 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.646 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 10.3 m -149.69 43.2 0.27 Allowed Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.51 -0.744 . . . . 0.0 110.433 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 108' ' ' THR . 57.4 Cg_endo -86.57 170.42 7.75 Favored 'Trans proline' 0 C--N 1.358 1.058 0 O-C-N 122.847 0.919 . . . . 0.0 110.429 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -73.16 -32.3 64.79 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.43 -0.794 . . . . 0.0 108.888 178.385 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.0 ptm -69.42 -7.65 39.57 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.524 -0.735 . . . . 0.0 110.75 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.548 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 58.1 tttm -52.43 -56.78 12.75 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.14 -0.975 . . . . 0.0 109.854 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 33.0 tt0 -107.57 -29.78 8.98 Favored 'General case' 0 C--O 1.212 -0.905 0 O-C-N 121.477 -0.764 . . . . 0.0 110.148 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -51.11 -37.15 44.24 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.357 -0.839 . . . . 0.0 110.566 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.482 ' OG ' HG22 ' A' ' 55' ' ' VAL . 16.0 p -61.15 -49.66 76.31 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.281 -0.887 . . . . 0.0 108.836 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.768 HG12 ' HA ' ' A' ' 55' ' ' VAL . 77.1 mt -67.44 -28.49 42.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.756 HD23 ' HD3' ' A' ' 120' ' ' ARG . 32.9 mt -66.25 -32.94 74.67 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.94 -44.67 76.27 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.02 -25.19 29.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 121.319 -0.863 . . . . 0.0 108.981 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.756 ' HD3' HD23 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.34 -43.76 73.0 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.151 -0.968 . . . . 0.0 109.92 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 118' ' ' ALA . 18.8 ptpt -69.67 -31.09 68.96 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.394 -0.816 . . . . 0.0 109.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.687 ' CE2' HD11 ' A' ' 126' ' ' ILE . 56.6 t80 -66.06 -51.71 55.67 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.478 -0.764 . . . . 0.0 109.076 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -68.48 -24.44 64.69 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.694 -0.629 . . . . 0.0 109.982 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -64.22 -41.84 96.85 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.25 -34.73 75.25 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.687 HD11 ' CE2' ' A' ' 122' ' ' TYR . 47.2 mt -66.09 -36.31 77.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.419 -0.801 . . . . 0.0 109.492 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.3 m -68.27 -42.89 78.91 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.422 -0.799 . . . . 0.0 109.173 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -69.21 -31.79 70.62 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.554 -0.716 . . . . 0.0 109.379 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.83 -43.36 99.02 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.532 -0.73 . . . . 0.0 109.289 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 66' ' ' LEU . 52.7 mt -67.0 -37.49 84.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -69.38 -29.55 67.34 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.489 -0.757 . . . . 0.0 109.716 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.466 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 7.2 tt0 -71.07 -50.15 36.91 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.466 -0.771 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.6 mptp? -81.29 3.67 23.22 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.767 -0.583 . . . . 0.0 109.748 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 55.23 44.85 26.93 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.459 ' CG ' ' HB2' ' A' ' 71' ' ' ASP . 32.1 m-85 59.13 53.58 5.39 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.653 -0.654 . . . . 0.0 110.025 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 133' ' ' LYS . 18.6 m -76.12 161.17 76.28 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.381 -0.825 . . . . 0.0 109.153 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.51 -41.89 3.01 Favored 'Trans proline' 0 C--O 1.216 -0.623 0 O-C-N 123.732 1.385 . . . . 0.0 110.779 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.96 -34.87 73.96 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.494 -0.754 . . . . 0.0 109.158 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -65.81 -37.47 86.36 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.529 -0.732 . . . . 0.0 109.356 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.472 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 17.9 m95 -70.54 -34.19 72.0 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.486 -0.759 . . . . 0.0 109.865 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.664 ' HG3' HG13 ' A' ' 24' ' ' ILE . 11.6 tm-20 -67.7 -43.08 80.93 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.721 HG21 ' O ' ' A' ' 32' ' ' ASP . 82.4 t -61.84 -40.99 88.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 139' ' ' ALA . 85.4 t -71.95 -25.68 24.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.69 -0.632 . . . . 0.0 109.488 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.485 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 2.1 tmt_? -65.5 -51.12 62.32 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.63 73.02 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 120.999 0.428 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.05 -33.8 68.26 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.428 -0.795 . . . . 0.0 110.038 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 13.6 mm -76.13 -35.86 29.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.826 0 O-C-N 121.411 -0.806 . . . . 0.0 109.502 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.471 ' SD ' HD22 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -74.9 -33.72 62.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.491 -0.756 . . . . 0.0 109.217 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 -43.9 57.38 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.363 -0.836 . . . . 0.0 109.05 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.615 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.9 p -65.49 -32.67 74.41 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.514 -0.741 . . . . 0.0 109.121 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.832 ' HB3' HD21 ' A' ' 15' ' ' LEU . 12.3 t80 -69.71 -44.85 69.52 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.9 t -62.9 -36.52 83.63 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.668 HD22 ' HG2' ' A' ' 40' ' ' GLN . 65.6 mt -64.9 -49.98 68.34 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.605 -0.685 . . . . 0.0 109.554 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 51.5 p -60.11 -40.45 89.72 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.809 -0.557 . . . . 0.0 110.568 -179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.808 HG21 ' CE1' ' A' ' 151' ' ' PHE . 17.6 p -93.61 0.89 56.74 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.866 -0.521 . . . . 0.0 111.103 -175.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -63.99 -16.96 62.79 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.132 -0.98 . . . . 0.0 109.215 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 1.01 HD11 ' HA2' ' A' ' 44' ' ' GLY . 3.9 mm? -69.04 -20.69 64.13 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.39 -0.818 . . . . 0.0 109.847 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -66.71 -20.01 65.88 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.578 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.451 ' O ' HD12 ' A' ' 161' ' ' LEU . 46.9 mt-10 -82.52 0.61 41.77 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.459 -0.776 . . . . 0.0 110.834 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 92.0 p -77.62 72.21 4.15 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.259 -0.901 . . . . 0.0 109.087 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 159' ' ' GLU . 1.6 mp -69.82 -166.65 0.12 Allowed 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.538 -0.726 . . . . 0.0 109.866 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -91.15 52.53 2.14 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.167 -0.958 . . . . 0.0 109.371 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 54.4 m -94.08 47.09 1.19 Allowed 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.35 -0.844 . . . . 0.0 109.262 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -154.23 41.91 0.5 Allowed 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.241 -0.912 . . . . 0.0 109.383 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.86 -1.067 . . . . 0.0 109.273 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' HB2' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.777 0.799 . . . . 0.0 109.711 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -149.26 63.23 1.03 Allowed 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.401 HD21 HG11 ' A' ' 103' ' ' VAL . 64.6 mt -44.39 104.13 0.37 Allowed Pre-proline 0 C--O 1.217 -0.629 0 CA-C-O 121.445 0.641 . . . . 0.0 109.966 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -84.34 141.17 8.92 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 O-C-N 124.822 1.959 . . . . 0.0 111.197 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -159.95 60.55 0.36 Allowed 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.8 p -149.36 -55.06 0.18 Allowed 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.689 -0.632 . . . . 0.0 109.648 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -86.75 -173.75 4.63 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.386 -0.821 . . . . 0.0 109.955 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.3 p -70.83 159.26 34.92 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.441 -0.787 . . . . 0.0 109.692 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.4 mt -87.79 148.46 24.69 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.433 -0.792 . . . . 0.0 109.529 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.23 -26.21 74.25 Favored Glycine 0 CA--C 1.536 1.35 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.522 ' HB2' HG21 ' A' ' 155' ' ' THR . 72.7 p -60.62 -38.71 85.67 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.532 -0.981 . . . . 0.0 109.956 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -63.13 -41.11 99.26 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.503 -0.748 . . . . 0.0 109.584 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 20.9 tpp180 -71.04 -35.63 72.03 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.477 -0.765 . . . . 0.0 109.862 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.3 m -62.88 -44.98 94.65 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.389 -0.819 . . . . 0.0 109.318 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 151' ' ' PHE . 74.7 mt -68.12 -31.68 71.45 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.586 -0.697 . . . . 0.0 109.175 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.22 -38.18 90.13 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 17' ' ' LEU . 37.7 mt -64.1 -41.85 97.13 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 HD23 ' A' ' 15' ' ' LEU . 61.1 mt -60.05 -30.64 69.33 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.718 -0.614 . . . . 0.0 109.531 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.48 63.4 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.757 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.44 -39.11 74.53 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.342 -0.849 . . . . 0.0 110.484 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.7 ptp -65.78 -22.46 66.57 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.737 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -55.63 106.41 0.25 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.703 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.605 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -94.47 -39.14 10.58 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.741 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.1 pt -106.2 170.57 2.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-O 121.524 0.678 . . . . 0.0 109.84 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.5 m -101.0 150.11 23.23 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD11 ' HG2' ' A' ' 33' ' ' ARG . 22.3 tp -64.42 -30.06 71.11 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -68.08 -37.61 81.42 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.023 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -66.71 -25.8 66.71 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.401 -0.812 . . . . 0.0 109.055 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 24' ' ' ILE . 34.2 m -114.86 54.17 0.79 Allowed 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.502 -0.749 . . . . 0.0 109.891 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 55.9 mt -82.43 0.74 40.77 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.157 -0.964 . . . . 0.0 110.393 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -82.8 -30.04 29.12 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.301 -0.874 . . . . 0.0 108.981 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.7 ' O ' HG21 ' A' ' 142' ' ' VAL . 63.7 m-20 -105.88 10.82 32.37 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.75 -0.594 . . . . 0.0 109.828 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HG2' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.9 109.91 5.32 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.239 -0.913 . . . . 0.0 109.693 -179.153 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -149.09 135.51 19.36 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.24 124.41 27.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.39 -0.819 . . . . 0.0 108.894 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 72.4 m-85 -73.24 -50.44 22.37 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.523 -0.736 . . . . 0.0 109.643 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.9 66.87 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 87.2 t80 -71.38 131.47 86.59 Favored Pre-proline 0 C--O 1.216 -0.659 0 O-C-N 121.638 -0.919 . . . . 0.0 108.999 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.0 Cg_endo -79.48 67.05 8.72 Favored 'Trans proline' 0 C--N 1.351 0.708 0 O-C-N 123.732 1.385 . . . . 0.0 111.04 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.667 ' HG3' HD22 ' A' ' 153' ' ' LEU . 3.0 tm0? -75.1 -14.62 60.59 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.338 -0.851 . . . . 0.0 109.097 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -61.26 -30.64 70.58 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.26 -0.9 . . . . 0.0 108.783 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -95.55 26.93 3.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' C ' HD11 ' A' ' 157' ' ' LEU . 9.1 m-85 -135.66 51.29 2.06 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.404 ' CA ' HD11 ' A' ' 157' ' ' LEU . . . -138.58 -95.55 0.34 Allowed Glycine 0 C--O 1.216 -0.992 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 9.1 t-20 -75.37 142.9 43.05 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.624 -0.927 . . . . 0.0 109.123 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 56.0 mt-30 71.51 19.89 4.99 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.793 -0.567 . . . . 0.0 110.027 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.52 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 79.9 m-85 -139.62 39.86 2.03 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 121.106 -0.996 . . . . 0.0 109.201 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.56 ' N ' ' HB2' ' A' ' 51' ' ' GLU . 13.5 mp0 -70.61 -161.24 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.417 -0.802 . . . . 0.0 110.161 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -45.05 -69.93 0.12 Allowed 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.443 -0.786 . . . . 0.0 111.509 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.38 36.68 1.14 Allowed 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.728 -0.608 . . . . 0.0 110.939 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.68 ' O ' HG11 ' A' ' 105' ' ' VAL . 48.4 mm-40 -118.16 -32.08 4.82 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 120.985 -1.072 . . . . 0.0 110.071 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.52 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 14.6 t -115.41 18.46 16.01 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.317 -0.865 . . . . 0.0 110.114 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.618 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 45.1 mt -57.53 -45.02 99.89 Favored Pre-proline 0 C--O 1.215 -0.763 0 O-C-N 121.038 -1.039 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -64.67 -28.71 60.45 Favored 'Trans proline' 0 C--N 1.357 0.989 0 O-C-N 123.106 1.056 . . . . 0.0 110.635 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.673 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.9 t -76.25 -37.96 32.85 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.837 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 40.9 mt -67.83 -31.3 71.05 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CD2' HD23 ' A' ' 92' ' ' LEU . 61.2 t-80 -69.48 -47.86 62.55 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.447 -0.783 . . . . 0.0 109.672 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.867 ' HG3' HD13 ' A' ' 116' ' ' ILE . 80.8 mm-40 -73.08 -31.5 64.42 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.5 -0.75 . . . . 0.0 110.299 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.441 ' CG ' HG11 ' A' ' 119' ' ' VAL . 8.0 ttt -71.66 -41.78 68.3 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.199 -0.938 . . . . 0.0 109.063 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.675 HG23 HD22 ' A' ' 88' ' ' LEU . 3.5 mt -70.01 -27.11 31.45 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 O-C-N 121.421 -0.799 . . . . 0.0 108.9 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.68 -38.36 70.62 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -67.11 -37.62 84.23 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.5 -0.75 . . . . 0.0 109.38 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.529 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.8 mt -72.81 -30.78 34.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.475 ' HA ' HD13 ' A' ' 88' ' ' LEU . 15.4 t80 -62.17 -48.46 79.99 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 121.459 -0.775 . . . . 0.0 109.433 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.799 ' O ' HG23 ' A' ' 69' ' ' THR . 20.5 t-20 -76.71 -37.11 56.64 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.502 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 130' ' ' LEU . 44.5 tp -57.94 -33.35 68.72 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.526 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 63' ' ' ILE . 17.9 m-85 -97.18 -24.05 15.91 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 110.047 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 13.2 t -77.67 -17.5 57.62 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.799 HG23 ' O ' ' A' ' 65' ' ' ASN . 30.0 p -55.97 150.41 13.56 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.228 -0.92 . . . . 0.0 110.213 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.8 -25.49 67.52 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 109.99 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.406 ' HB2' ' CG ' ' A' ' 135' ' ' TYR . 1.0 OUTLIER -76.99 -32.89 57.55 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.44 -0.788 . . . . 0.0 110.063 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.486 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 23.7 t -86.19 -32.59 21.13 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.255 -0.903 . . . . 0.0 109.705 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 26.5 t -64.62 -36.44 84.27 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.584 -0.697 . . . . 0.0 109.258 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -24.43 33.04 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.48 72.28 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.46 -0.775 . . . . 0.0 109.999 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.605 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 78.9 m95 -118.47 176.16 5.38 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.636 -0.665 . . . . 0.0 109.897 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 133.93 49.16 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -67.92 -28.13 67.23 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.352 -0.843 . . . . 0.0 110.564 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.1 m -78.12 -44.33 26.39 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.059 -1.025 . . . . 0.0 109.001 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.9 -38.5 91.2 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 81' ' ' LEU . 11.3 mt -71.45 -33.21 69.17 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -49.16 74.53 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -64.95 -34.59 78.77 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 88' ' ' LEU . 12.7 t80 -64.1 -32.29 73.8 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.786 -0.571 . . . . 0.0 109.659 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -76.63 -35.37 58.08 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.042 -1.036 . . . . 0.0 109.597 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.9 m -69.24 -39.93 78.2 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.453 -0.78 . . . . 0.0 109.868 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.416 ' OE2' HD11 ' A' ' 17' ' ' LEU . 19.8 mt-10 -73.41 -34.04 65.28 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.275 -0.891 . . . . 0.0 109.823 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.675 HD22 HG23 ' A' ' 60' ' ' ILE . 81.8 mt -69.49 -38.72 77.77 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.378 -0.826 . . . . 0.0 109.372 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.6 -38.04 59.36 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.55 -0.719 . . . . 0.0 110.527 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -68.71 -45.95 70.23 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.187 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -66.7 -26.22 66.92 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.551 -0.718 . . . . 0.0 109.192 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.41 HD23 ' CD2' ' A' ' 57' ' ' HIS . 6.5 mt -70.17 -47.11 63.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.367 -0.833 . . . . 0.0 109.452 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.56 -32.7 74.45 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.507 -0.745 . . . . 0.0 109.967 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.83 61.99 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.236 -0.915 . . . . 0.0 109.261 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 HG23 ' A' ' 53' ' ' ILE . 31.5 mt -65.39 -43.24 91.31 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.472 ' O ' HG13 ' A' ' 100' ' ' ILE . 11.5 pt-20 -73.76 -30.91 63.06 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.507 -0.746 . . . . 0.0 109.881 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 100' ' ' ILE . . . -57.22 -42.24 81.02 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.462 -0.774 . . . . 0.0 109.519 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 65.4 m -65.47 -44.24 87.78 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.487 -0.758 . . . . 0.0 109.014 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.96 -42.02 91.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 O-C-N 121.679 -0.638 . . . . 0.0 110.025 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 96' ' ' GLU . 92.4 mt -58.3 -51.29 73.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 O-C-N 121.4 -0.812 . . . . 0.0 109.256 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -74.37 -174.95 2.16 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.854 -0.529 . . . . 0.0 109.598 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.68 -14.28 60.22 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 104' ' ' GLY . 3.5 t -71.55 172.4 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 121.057 -1.261 . . . . 0.0 109.067 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.559 ' H ' HG12 ' A' ' 103' ' ' VAL . . . 99.04 -149.86 19.16 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.68 HG11 ' O ' ' A' ' 51' ' ' GLU . 3.4 p -154.25 130.14 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 O-C-N 121.29 -1.123 . . . . 0.0 110.063 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 106' ' ' THR . 19.2 m -153.77 29.25 0.47 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 121.913 0.863 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 106' ' ' THR . 60.2 mm-40 -28.25 -76.24 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.743 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.533 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 4.9 m -169.09 -60.49 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.744 0 O-C-N 121.47 -0.769 . . . . 0.0 110.578 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' A' ' 108' ' ' THR . 38.2 Cg_endo -64.66 170.48 9.8 Favored 'Trans proline' 0 C--N 1.356 0.922 0 O-C-N 123.605 1.319 . . . . 0.0 112.537 -176.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.8 -6.01 34.55 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.3 tpp -44.01 -36.79 2.65 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.242 -0.911 . . . . 0.0 110.447 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -60.96 -36.95 80.75 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.511 -0.743 . . . . 0.0 109.989 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HG3' ' HG ' ' A' ' 117' ' ' LEU . 40.7 tp10 -92.55 -27.86 17.12 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.449 -0.782 . . . . 0.0 109.917 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -58.62 -36.04 73.44 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.23 -0.919 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.4 ' HB2' HG11 ' A' ' 55' ' ' VAL . 1.4 p -64.13 -43.75 94.29 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.867 HD13 ' HG3' ' A' ' 58' ' ' GLU . 76.3 mt -66.2 -33.08 61.14 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 117' ' ' LEU . 27.2 mt -66.31 -34.52 78.18 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.686 -0.634 . . . . 0.0 109.555 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.555 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.95 -48.65 73.31 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.441 HG11 ' CG ' ' A' ' 59' ' ' MET . 91.3 t -63.27 -27.24 42.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.4 -43.0 95.78 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.249 -0.907 . . . . 0.0 109.464 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -69.23 -34.14 74.37 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.434 -0.791 . . . . 0.0 109.453 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.662 ' CE2' HD11 ' A' ' 126' ' ' ILE . 67.4 t80 -63.55 -50.89 67.74 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.487 -0.758 . . . . 0.0 109.686 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.47 -20.73 61.33 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.635 -0.666 . . . . 0.0 110.411 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -40.43 81.93 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 21.1 tpt180 -68.68 -39.06 80.74 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.662 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.4 mt -61.74 -39.51 83.58 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.628 -0.67 . . . . 0.0 109.616 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -66.98 -36.29 81.85 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.6 tt -68.73 -38.55 80.27 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 121.45 -0.781 . . . . 0.0 109.291 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.479 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -63.02 -35.33 79.86 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.543 -0.723 . . . . 0.0 109.694 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.549 HD11 HD11 ' A' ' 66' ' ' LEU . 79.1 mt -72.41 -38.78 68.3 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.569 -0.707 . . . . 0.0 109.676 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.82 -21.06 55.63 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.098 -1.001 . . . . 0.0 109.686 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 13.7 tt0 -77.62 -49.08 15.3 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.364 -0.835 . . . . 0.0 108.991 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.606 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 1.3 mptm? -83.22 4.49 26.61 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 58.82 41.0 22.25 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.357 -0.84 . . . . 0.0 110.173 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 32.6 m-85 59.74 49.59 7.97 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.527 -0.733 . . . . 0.0 109.973 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.419 ' HB2' ' HB3' ' A' ' 133' ' ' LYS . 11.0 m -81.54 160.96 63.32 Favored Pre-proline 0 C--O 1.216 -0.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.222 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.62 ' O ' HD11 ' A' ' 24' ' ' ILE . 41.6 Cg_endo -69.15 -32.62 20.73 Favored 'Trans proline' 0 C--O 1.216 -0.616 0 O-C-N 123.881 1.464 . . . . 0.0 110.915 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 3.7 m -71.19 -45.87 62.49 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.545 -0.722 . . . . 0.0 109.377 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.41 -36.05 81.14 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.429 -0.794 . . . . 0.0 108.939 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.509 ' CE2' HD22 ' A' ' 130' ' ' LEU . 17.9 m95 -70.12 -36.71 75.01 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.547 -0.721 . . . . 0.0 109.989 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -64.2 -40.26 95.7 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.375 -0.828 . . . . 0.0 109.404 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.7 HG21 ' O ' ' A' ' 32' ' ' ASP . 96.1 t -65.46 -42.06 92.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 147' ' ' ILE . 99.2 t -71.05 -22.04 22.52 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 O-C-N 121.706 -0.621 . . . . 0.0 109.374 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.18 60.34 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.136 -0.977 . . . . 0.0 108.697 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.34 73.79 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.872 -0.518 . . . . 0.0 109.66 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.449 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 32.3 mm-40 -69.38 -35.28 75.66 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.649 -0.657 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.8 mm -74.2 -33.03 33.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 121.31 -0.869 . . . . 0.0 109.451 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.3 ttm -70.62 -37.58 73.85 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.469 -0.77 . . . . 0.0 109.018 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -72.19 -47.81 47.9 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.584 -0.697 . . . . 0.0 109.673 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 60.6 p -61.22 -42.43 98.59 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.69 -0.631 . . . . 0.0 110.176 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.882 ' HB3' HD21 ' A' ' 15' ' ' LEU . 48.7 t80 -65.49 -39.01 91.42 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.423 -0.798 . . . . 0.0 109.428 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.2 t -67.74 -36.0 79.76 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.488 -0.757 . . . . 0.0 109.39 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.667 HD22 ' HG3' ' A' ' 40' ' ' GLN . 53.1 mt -65.44 -39.62 92.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.532 -0.73 . . . . 0.0 109.811 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.611 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 51.4 m -73.0 -30.72 63.99 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.611 -0.681 . . . . 0.0 110.623 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.522 HG21 ' HB2' ' A' ' 11' ' ' SER . 73.5 p -94.38 -7.25 42.18 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.265 -0.897 . . . . 0.0 111.035 -178.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.91 0.91 29.28 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 120.846 -1.159 . . . . 0.0 110.235 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.497 HD11 ' C ' ' A' ' 43' ' ' PHE . 4.6 mm? -61.93 -45.39 93.89 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.293 -0.879 . . . . 0.0 109.46 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -79.25 -23.15 43.89 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.605 -0.684 . . . . 0.0 109.547 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -68.53 -18.86 64.45 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.489 -0.757 . . . . 0.0 110.035 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 25.7 t -100.51 51.39 0.88 Allowed 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.478 -0.764 . . . . 0.0 109.19 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.444 HD23 ' C ' ' A' ' 161' ' ' LEU . 5.5 tt -90.69 109.82 20.99 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.291 -0.881 . . . . 0.0 108.769 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -109.0 -20.81 12.9 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.476 -0.765 . . . . 0.0 110.466 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.8 t -57.59 123.78 16.78 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.168 -0.958 . . . . 0.0 109.916 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -111.83 27.66 9.46 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.572 -0.705 . . . . 0.0 109.54 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 CA--C 1.534 0.365 0 O-C-N 121.224 -0.923 . . . . 0.0 109.464 179.684 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.769 0.795 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -109.65 83.29 1.73 Allowed 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 4.6 mm? -59.63 -51.1 83.41 Favored Pre-proline 0 C--O 1.217 -0.623 0 O-C-N 121.786 -0.571 . . . . 0.0 110.679 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 40.7 Cg_endo -68.52 149.75 74.67 Favored 'Trans proline' 0 C--N 1.353 0.797 0 O-C-N 123.413 1.218 . . . . 0.0 110.934 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -110.15 91.0 3.48 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.6 p -94.61 -31.74 13.73 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.556 -0.715 . . . . 0.0 109.904 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -84.87 -176.44 6.21 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.264 -0.897 . . . . 0.0 109.748 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -89.99 178.05 6.31 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.52 -0.738 . . . . 0.0 109.626 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.49 115.61 27.04 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.312 -0.867 . . . . 0.0 109.545 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.18 -17.66 78.86 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.867 ' HB3' HG21 ' A' ' 155' ' ' THR . 47.6 m -60.96 -38.73 86.93 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.487 -1.008 . . . . 0.0 109.703 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 24.4 tpt180 -66.88 -35.12 79.29 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.377 -0.827 . . . . 0.0 109.413 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -66.25 -37.23 85.02 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.41 -0.807 . . . . 0.0 108.837 178.386 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.6 m -63.21 -41.31 99.13 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 151' ' ' PHE . 65.0 mt -69.2 -32.66 72.1 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.752 -0.593 . . . . 0.0 109.625 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.9 -36.23 82.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 84' ' ' PHE . 68.0 mt -61.47 -45.92 92.22 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.745 HD12 HD23 ' A' ' 15' ' ' LEU . 57.6 mt -56.3 -41.7 76.35 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.872 -0.517 . . . . 0.0 109.847 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HA ' ' NH2' ' A' ' 144' ' ' ARG . . . -60.21 -44.34 95.22 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.601 -0.687 . . . . 0.0 109.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -70.82 -23.08 62.29 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.413 -0.804 . . . . 0.0 110.125 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.538 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 2.0 mtm -74.68 -11.36 60.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 121.265 -0.897 . . . . 0.0 111.172 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -70.46 111.86 6.32 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 120.624 -1.297 . . . . 0.0 109.496 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' A' ' 21' ' ' MET . 5.0 mptp? -92.23 -37.31 12.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.603 -0.686 . . . . 0.0 109.327 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.867 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.4 pt -108.7 170.8 2.68 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 O-C-N 121.583 -0.698 . . . . 0.0 109.737 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.02 146.66 27.14 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.467 -0.77 . . . . 0.0 108.936 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.01 -31.15 72.23 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.422 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 74.7 m-85 -68.01 -38.06 82.17 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 176.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.5 m -66.21 -28.78 69.01 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.867 ' SG ' HD12 ' A' ' 24' ' ' ILE . 12.3 m -112.95 56.26 0.68 Allowed 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.549 -0.719 . . . . 0.0 109.896 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 69.7 mt -83.78 3.65 32.52 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 120.871 -1.143 . . . . 0.0 110.413 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -86.95 -12.96 46.03 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.158 -0.964 . . . . 0.0 109.678 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.678 ' O ' HG21 ' A' ' 142' ' ' VAL . 7.2 t70 -111.02 24.39 12.97 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.366 -0.834 . . . . 0.0 109.932 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.529 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 60.9 mtm-85 -67.66 101.28 1.01 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 120.674 -1.266 . . . . 0.0 109.846 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -143.86 118.95 10.07 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.514 -0.741 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -79.45 132.85 36.48 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 80.4 m-85 -86.49 -49.76 7.35 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.02 76.57 1.04 Allowed Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 80.4 t80 -72.91 134.48 81.18 Favored Pre-proline 0 C--O 1.216 -0.677 0 O-C-N 121.468 -1.019 . . . . 0.0 108.826 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 53.2 Cg_endo -81.33 75.82 4.75 Favored 'Trans proline' 0 C--N 1.351 0.675 0 O-C-N 123.648 1.341 . . . . 0.0 110.897 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.801 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -78.55 -13.06 60.01 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.165 -0.96 . . . . 0.0 109.363 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.08 -28.5 69.12 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -85.46 8.24 19.81 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.748 -0.595 . . . . 0.0 109.788 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.709 ' HB3' HD21 ' A' ' 157' ' ' LEU . 57.1 m-85 -131.01 55.01 1.87 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.251 -0.905 . . . . 0.0 108.795 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -147.05 -81.87 0.04 OUTLIER Glycine 0 C--O 1.218 -0.851 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 72.8 m-80 -84.22 158.5 21.25 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.707 -0.878 . . . . 0.0 109.462 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 15.5 pt20 45.1 33.0 0.99 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.431 0.634 . . . . 0.0 110.08 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.612 ' HB3' HG23 ' A' ' 52' ' ' THR . 24.2 m-85 -148.4 42.5 1.0 Allowed 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.611 -0.681 . . . . 0.0 109.181 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' A' ' 161' ' ' LEU . 88.5 mt-30 -130.68 139.56 50.34 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.24 -0.912 . . . . 0.0 109.888 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 66.15 93.05 0.07 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.239 0.542 . . . . 0.0 110.334 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 54.6 45.55 26.64 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.631 -0.668 . . . . 0.0 110.462 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.556 ' HB3' ' HA ' ' A' ' 47' ' ' PHE . 56.3 mm-40 -125.9 -47.49 1.66 Allowed 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.312 -0.868 . . . . 0.0 109.577 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.612 HG23 ' HB3' ' A' ' 47' ' ' PHE . 16.7 p -89.74 -8.91 51.2 Favored 'General case' 0 C--O 1.206 -1.212 0 O-C-N 121.741 -0.599 . . . . 0.0 110.47 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.79 HG23 HD23 ' A' ' 95' ' ' LEU . 13.4 mt -45.26 -46.61 32.73 Favored Pre-proline 0 N--CA 1.476 0.846 0 O-C-N 121.068 -1.02 . . . . 0.0 111.117 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.7 Cg_endo -67.1 -36.64 21.2 Favored 'Trans proline' 0 C--N 1.354 0.824 0 O-C-N 123.114 1.06 . . . . 0.0 110.646 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.763 ' HA ' HG12 ' A' ' 116' ' ' ILE . 20.9 t -71.25 -39.08 72.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.484 -0.76 . . . . 0.0 109.187 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.572 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 25.9 mt -68.09 -33.68 74.98 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' HD23 ' A' ' 92' ' ' LEU . 62.9 t-80 -62.66 -46.43 88.24 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.811 ' HG3' HD13 ' A' ' 116' ' ' ILE . 58.1 mm-40 -71.29 -29.68 65.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.517 -0.74 . . . . 0.0 109.309 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.5 tpp -64.66 -36.95 85.93 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.788 HG21 ' HG ' ' A' ' 92' ' ' LEU . 4.6 mm -71.1 -33.79 52.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -69.43 -35.56 75.81 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.561 -0.712 . . . . 0.0 109.579 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -71.59 -40.27 69.98 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.442 -0.786 . . . . 0.0 109.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.587 HG23 ' CE1' ' A' ' 67' ' ' PHE . 78.0 mt -76.6 -27.31 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.006 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 88' ' ' LEU . 41.3 t80 -68.08 -43.03 79.5 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.232 -0.918 . . . . 0.0 109.22 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 69' ' ' THR . 47.2 t30 -80.28 -38.51 30.67 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.635 -0.665 . . . . 0.0 109.895 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.63 -31.07 69.17 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.491 -0.756 . . . . 0.0 109.417 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.587 ' CE1' HG23 ' A' ' 63' ' ' ILE . 8.0 m-85 -95.8 -27.85 15.03 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.578 -0.701 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.459 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.2 t -72.59 -18.97 61.56 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.336 -0.853 . . . . 0.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 65' ' ' ASN . 34.2 p -54.65 151.75 7.76 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.21 -0.931 . . . . 0.0 109.967 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.39 -21.55 66.35 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.508 -0.745 . . . . 0.0 109.721 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.3 m-20 -77.27 -43.98 31.43 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.33 -0.856 . . . . 0.0 109.687 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.503 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.4 t -78.27 -29.61 48.09 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.506 -0.746 . . . . 0.0 109.969 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 92.5 p -65.4 -37.97 88.57 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.465 -0.772 . . . . 0.0 109.22 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.34 -21.49 35.97 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.97 67.94 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.463 -0.773 . . . . 0.0 110.121 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.42 ' CE3' ' O ' ' A' ' 21' ' ' MET . 68.5 m95 -119.03 172.68 7.38 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.657 -0.652 . . . . 0.0 109.671 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.66 137.63 52.32 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.344 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 15.9 pt-20 -66.99 -27.8 67.73 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.661 -0.649 . . . . 0.0 110.176 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.1 m -78.0 -45.19 24.43 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.183 -0.948 . . . . 0.0 108.872 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 80' ' ' LEU . 72.2 mt -63.57 -38.09 89.81 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.77 -33.26 70.59 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 10.6 t70 -55.82 -52.56 63.57 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 83' ' ' LYS . 29.7 mmtp -67.03 -30.57 70.69 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.542 ' HA ' HD13 ' A' ' 17' ' ' LEU . 20.9 t80 -66.66 -29.65 69.72 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.559 -0.713 . . . . 0.0 109.322 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -77.9 -33.66 51.77 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.267 -0.895 . . . . 0.0 108.909 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.8 m -69.71 -35.41 75.03 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.503 ' HG3' HD11 ' A' ' 17' ' ' LEU . 29.7 mm-40 -74.24 -32.8 63.12 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.455 -0.778 . . . . 0.0 109.291 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 64' ' ' PHE . 46.8 mt -70.36 -40.38 74.06 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.489 -0.757 . . . . 0.0 109.173 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.528 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.6 t80 -76.09 -29.39 57.9 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.223 -0.923 . . . . 0.0 109.671 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -67.48 -47.87 68.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -66.78 -28.55 68.48 Favored 'General case' 0 C--O 1.21 -1.003 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.788 ' HG ' HG21 ' A' ' 60' ' ' ILE . 11.0 mt -71.77 -31.29 66.48 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 121.465 -0.772 . . . . 0.0 109.508 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -72.32 -42.1 65.82 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.449 -0.782 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -69.77 -45.74 67.36 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.395 -0.815 . . . . 0.0 109.059 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.79 HD23 HG23 ' A' ' 53' ' ' ILE . 67.7 mt -63.52 -36.06 82.53 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.936 -0.478 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.521 ' O ' HG12 ' A' ' 100' ' ' ILE . 5.3 tp10 -74.97 -39.86 61.06 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.522 -0.737 . . . . 0.0 110.188 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.83 -45.19 49.98 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.806 -0.559 . . . . 0.0 110.281 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 74.5 m -64.8 -44.05 91.2 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.449 -0.782 . . . . 0.0 109.264 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.93 -30.78 49.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 O-C-N 121.882 -0.511 . . . . 0.0 109.973 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 96' ' ' GLU . 39.8 mm -57.94 -52.07 62.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.606 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -78.73 -173.52 3.49 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.76 -18.75 57.36 Favored Glycine 0 CA--C 1.541 1.657 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.3 t -62.25 152.98 6.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.211 -1.17 . . . . 0.0 109.311 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.87 -111.47 1.47 Allowed Glycine 0 CA--C 1.533 1.176 0 C-N-CA 120.062 -1.066 . . . . 0.0 110.491 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.428 ' HB ' ' HG2' ' A' ' 112' ' ' LYS . 27.0 m -109.0 169.16 3.41 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 O-C-N 121.521 -0.988 . . . . 0.0 110.129 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.2 p -103.78 -172.37 2.1 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -117.27 -23.68 7.75 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.018 -1.051 . . . . 0.0 110.698 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.74 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 51.1 m -73.19 -59.69 2.02 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 121.039 -1.038 . . . . 0.0 111.032 -177.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.74 ' HD3' ' HB ' ' A' ' 108' ' ' THR . 53.2 Cg_endo -76.28 158.01 37.29 Favored 'Trans proline' 0 C--N 1.352 0.763 0 O-C-N 123.29 1.153 . . . . 0.0 111.938 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 110' ' ' LEU . 26.5 tp -86.15 -6.54 58.98 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -56.75 -8.22 0.55 Allowed 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.361 -0.837 . . . . 0.0 111.48 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.428 ' HG2' ' HB ' ' A' ' 105' ' ' VAL . 56.6 mtpt -45.44 -56.3 5.17 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.319 -0.863 . . . . 0.0 109.885 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -120.83 24.76 10.07 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.613 -0.68 . . . . 0.0 110.413 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -34.29 51.16 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 120.891 -1.13 . . . . 0.0 108.771 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.762 ' HB3' HG21 ' A' ' 55' ' ' VAL . 23.2 t -73.43 -39.24 65.17 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.811 HD13 ' HG3' ' A' ' 58' ' ' GLU . 70.2 mt -64.36 -34.28 68.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 117' ' ' LEU . 5.9 mt -65.19 -35.56 81.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.521 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -68.16 -44.36 76.16 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.85 -23.66 31.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.78 -46.55 62.68 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.43 64.45 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.524 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 54.5 t80 -68.76 -49.69 56.62 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.467 -0.771 . . . . 0.0 109.061 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -70.25 -26.86 64.03 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.794 -0.566 . . . . 0.0 109.961 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -63.87 -42.23 97.56 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -64.4 -39.67 94.3 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.588 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 61.7 mt -62.97 -36.88 77.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.593 -0.692 . . . . 0.0 109.586 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.4 m -68.44 -41.28 80.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.432 -0.793 . . . . 0.0 109.967 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.1 mm? -69.96 -34.15 73.02 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.446 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 22.0 t80 -65.22 -42.25 93.63 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.44 -0.788 . . . . 0.0 108.893 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 27.6 mt -63.31 -35.56 80.77 Favored 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -34.87 77.38 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.41 -0.806 . . . . 0.0 109.359 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.59 -52.9 48.63 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.623 -0.673 . . . . 0.0 109.736 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.5 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.5 mptt -79.3 1.47 24.89 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.765 -0.584 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 56.53 46.31 20.77 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.393 -0.817 . . . . 0.0 109.799 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.418 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 78.7 m-85 58.38 52.79 6.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.766 -0.584 . . . . 0.0 110.412 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.47 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.0 m -80.43 162.82 59.63 Favored Pre-proline 0 C--O 1.217 -0.644 0 O-C-N 121.309 -0.87 . . . . 0.0 109.378 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -69.86 -41.74 3.89 Favored 'Trans proline' 0 C--N 1.351 0.668 0 O-C-N 123.802 1.422 . . . . 0.0 111.114 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.79 -42.11 91.14 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.613 -0.679 . . . . 0.0 109.346 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.64 -37.02 85.39 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.561 -0.712 . . . . 0.0 109.625 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 10.2 m95 -66.49 -34.8 78.74 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.518 -0.739 . . . . 0.0 110.429 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.18 -37.93 66.35 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.678 HG21 ' O ' ' A' ' 32' ' ' ASP . 48.4 t -60.78 -38.64 79.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.8 t -73.6 -30.06 28.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.469 ' NH2' ' HA ' ' A' ' 19' ' ' ALA . 3.0 tmt_? -60.71 -52.09 66.59 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.132 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.01 85.96 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.42 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 4.8 mm-40 -70.42 -29.28 65.85 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.775 -0.578 . . . . 0.0 110.379 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.5 mm -77.2 -30.95 17.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 O-C-N 121.306 -0.872 . . . . 0.0 109.102 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.517 ' HG3' HD22 ' A' ' 15' ' ' LEU . 23.7 ttm -73.83 -39.56 63.95 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.482 -0.761 . . . . 0.0 109.056 178.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 149' ' ' ARG . 12.8 mmt180 -72.71 -40.69 65.96 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 121.511 -0.743 . . . . 0.0 109.624 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.606 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.0 p -66.75 -38.49 86.73 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.439 -0.788 . . . . 0.0 109.628 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.908 ' HB3' HD21 ' A' ' 15' ' ' LEU . 56.4 t80 -72.29 -40.38 67.6 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.499 -0.751 . . . . 0.0 109.552 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 92.1 p -65.84 -34.56 78.44 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.276 -0.89 . . . . 0.0 108.691 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.801 HD22 ' HG3' ' A' ' 40' ' ' GLN . 68.6 mt -68.58 -37.15 79.62 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.694 -0.629 . . . . 0.0 109.454 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 28.2 p -66.45 -36.6 83.19 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.476 -0.765 . . . . 0.0 109.409 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.867 HG21 ' HB3' ' A' ' 11' ' ' SER . 18.2 p -97.12 1.29 49.77 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.847 -0.533 . . . . 0.0 110.54 -176.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.23 -4.65 43.01 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.156 -0.965 . . . . 0.0 110.52 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 43' ' ' PHE . 4.2 mm? -64.52 -35.99 82.74 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 120.991 -1.068 . . . . 0.0 109.042 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -80.87 -41.87 22.43 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.574 -0.704 . . . . 0.0 109.213 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.67 -23.65 65.34 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.59 -0.694 . . . . 0.0 110.158 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.1 m -119.03 40.03 3.4 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.556 -0.715 . . . . 0.0 109.197 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 48' ' ' GLN . 48.4 tp -77.02 -56.51 4.52 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.082 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.417 ' HG2' ' HG ' ' A' ' 161' ' ' LEU . 17.4 mmt85 -137.17 52.94 1.9 Allowed 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 68.8 p -131.91 49.08 2.35 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.337 -0.852 . . . . 0.0 109.603 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 164' ' ' LYS . 56.3 tptt -147.72 85.82 1.57 Allowed 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.201 -0.937 . . . . 0.0 109.095 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.361 -179.659 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.825 ' CB ' HG21 ' A' ' 103' ' ' VAL . 39.6 t . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 121.583 0.706 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.559 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.5 OUTLIER -76.86 72.71 3.47 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-O 121.687 0.756 . . . . 0.0 109.58 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.598 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -70.89 -57.08 5.3 Favored Pre-proline 0 C--O 1.216 -0.699 0 O-C-N 121.319 -0.863 . . . . 0.0 109.014 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 47.3 Cg_endo -74.54 159.06 43.38 Favored 'Trans proline' 0 C--N 1.353 0.813 0 O-C-N 123.817 1.43 . . . . 0.0 110.615 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -143.23 66.31 1.31 Allowed 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.334 -0.854 . . . . 0.0 109.701 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 p -123.13 -59.5 1.57 Allowed 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.375 -0.828 . . . . 0.0 109.003 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -93.99 170.38 9.59 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.527 -0.733 . . . . 0.0 109.112 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.4 t -152.15 132.86 14.01 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.4 pt? -147.15 18.6 1.23 Allowed 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.658 -0.651 . . . . 0.0 110.438 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.09 -71.83 0.65 Allowed Glycine 0 C--O 1.215 -1.048 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -64.68 -42.63 95.22 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.797 -0.825 . . . . 0.0 110.196 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -62.5 -39.76 94.54 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 49.7 mmm-85 -69.47 -33.69 73.28 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.691 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -63.23 -43.32 98.41 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.42 -0.8 . . . . 0.0 108.98 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.969 HD21 ' HB3' ' A' ' 151' ' ' PHE . 98.1 mt -68.38 -30.92 69.97 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.7 ttp -65.49 -36.89 85.2 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.935 HD11 ' HG3' ' A' ' 87' ' ' GLU . 81.6 mt -62.85 -44.4 96.23 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 15' ' ' LEU . 34.4 mt -59.29 -40.78 87.23 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.822 -0.549 . . . . 0.0 109.712 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.21 97.37 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.475 -0.766 . . . . 0.0 109.743 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.84 -33.08 73.22 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.439 -0.788 . . . . 0.0 109.957 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.488 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 21.6 mtp -66.19 -23.43 66.45 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.434 -0.791 . . . . 0.0 110.963 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -49.68 128.0 16.98 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HE3' ' CZ3' ' A' ' 76' ' ' TRP . 2.4 mtmp? -109.35 -28.44 8.96 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.856 -0.527 . . . . 0.0 109.882 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.823 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pt -129.42 171.7 16.7 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 O-C-N 121.467 -0.771 . . . . 0.0 109.929 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -86.18 137.63 32.5 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.554 -0.717 . . . . 0.0 109.077 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.84 -32.92 74.84 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.636 -0.665 . . . . 0.0 109.378 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -63.28 -37.73 88.38 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.8 m -65.86 -29.46 69.91 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.823 ' SG ' HD12 ' A' ' 24' ' ' ILE . 67.2 m -105.15 47.39 0.88 Allowed 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.451 -0.781 . . . . 0.0 110.301 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 mt -85.13 -2.4 57.97 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.152 -0.967 . . . . 0.0 110.031 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -81.83 -30.67 32.04 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.416 -0.802 . . . . 0.0 108.982 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.658 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.2 m-20 -108.14 23.08 15.04 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.614 -0.678 . . . . 0.0 109.93 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -82.82 114.63 21.27 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.952 -1.092 . . . . 0.0 109.207 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -145.13 127.47 15.86 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -74.1 136.19 42.97 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.324 -0.86 . . . . 0.0 109.182 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 59.8 m-85 -87.11 -41.66 13.63 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.559 -0.713 . . . . 0.0 109.771 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.17 71.15 0.62 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 89.9 t80 -67.23 132.76 93.4 Favored Pre-proline 0 C--O 1.217 -0.625 0 O-C-N 121.54 -0.977 . . . . 0.0 108.932 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 52.3 Cg_endo -81.88 68.28 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 O-C-N 123.653 1.343 . . . . 0.0 111.291 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 5.2 tp60 -73.11 -20.02 61.03 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.233 -0.917 . . . . 0.0 108.796 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.54 -30.03 69.5 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.286 -0.884 . . . . 0.0 108.856 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -88.89 11.21 18.65 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.548 -0.72 . . . . 0.0 109.439 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.768 ' O ' HD21 ' A' ' 157' ' ' LEU . 12.4 m-85 -124.3 15.33 9.01 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.416 -0.802 . . . . 0.0 109.109 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.65 -91.77 1.68 Allowed Glycine 0 C--O 1.218 -0.883 0 O-C-N 120.88 -1.137 . . . . 0.0 110.41 -178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -89.56 165.18 14.43 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.74 -0.859 . . . . 0.0 109.858 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 67.44 14.57 9.67 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.762 -0.586 . . . . 0.0 109.529 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.823 ' HB3' HG23 ' A' ' 52' ' ' THR . 85.2 m-85 -147.23 43.81 1.13 Allowed 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 72.2 tp60 -119.21 149.44 41.75 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.438 -0.789 . . . . 0.0 109.563 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 59.5 mttp 77.35 65.45 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.412 0.625 . . . . 0.0 109.754 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.777 ' HB1' ' HA2' ' A' ' 104' ' ' GLY . . . 56.72 36.5 27.75 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.694 -0.629 . . . . 0.0 110.858 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HA ' HG11 ' A' ' 105' ' ' VAL . 94.0 mt-10 -102.83 -23.77 13.75 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.042 -1.036 . . . . 0.0 109.768 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.823 HG23 ' HB3' ' A' ' 47' ' ' PHE . 2.3 p -84.0 -15.0 49.27 Favored 'General case' 0 C--O 1.211 -0.973 0 O-C-N 121.749 -0.594 . . . . 0.0 109.906 178.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.58 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 58.7 mt -45.42 -46.17 33.6 Favored Pre-proline 0 C--O 1.213 -0.846 0 O-C-N 121.479 -0.763 . . . . 0.0 111.68 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.0 Cg_endo -65.27 -39.37 23.16 Favored 'Trans proline' 0 C--N 1.355 0.918 0 O-C-N 123.017 1.009 . . . . 0.0 110.985 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.733 ' HA ' HG12 ' A' ' 116' ' ' ILE . 16.1 t -69.78 -37.76 74.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 20.3 mt -65.55 -34.54 78.49 Favored 'General case' 0 C--O 1.212 -0.888 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 92' ' ' LEU . 45.2 t-80 -60.18 -46.54 89.37 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' CG ' HG23 ' A' ' 116' ' ' ILE . 3.8 tm-20 -69.28 -30.62 68.76 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.461 -0.775 . . . . 0.0 109.07 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 tpp -63.2 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.465 -0.772 . . . . 0.0 109.126 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.629 HG21 ' HG ' ' A' ' 92' ' ' LEU . 8.0 mm -73.8 -30.31 28.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 O-C-N 121.321 -0.862 . . . . 0.0 109.227 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -73.12 -32.07 64.7 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.469 -0.769 . . . . 0.0 109.447 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' HB3' ' CD2' ' A' ' 123' ' ' PHE . 4.0 mm100 -76.02 -40.54 53.34 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.376 -0.827 . . . . 0.0 109.678 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.596 HG23 ' CE1' ' A' ' 67' ' ' PHE . 83.8 mt -75.24 -29.61 21.8 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 121.316 -0.865 . . . . 0.0 108.779 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' HA ' HD13 ' A' ' 88' ' ' LEU . 28.8 t80 -65.22 -44.59 87.81 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.311 -0.868 . . . . 0.0 109.365 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.656 ' O ' HG23 ' A' ' 69' ' ' THR . 3.4 t-20 -79.87 -38.75 32.02 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.469 -0.77 . . . . 0.0 110.053 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 130' ' ' LEU . 34.5 tp -59.2 -31.34 68.94 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.394 -0.816 . . . . 0.0 109.379 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.596 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.2 m-85 -95.62 -27.09 15.49 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.574 -0.704 . . . . 0.0 109.945 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -75.18 -22.59 57.93 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.282 -0.886 . . . . 0.0 110.39 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 65' ' ' ASN . 14.4 p -51.38 148.87 4.54 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.394 -0.817 . . . . 0.0 110.263 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.56 -26.69 67.1 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.597 -0.689 . . . . 0.0 109.805 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.4 p30 -74.81 -32.59 62.03 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.45 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 20.8 t -90.76 -29.44 17.64 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.298 -0.876 . . . . 0.0 109.752 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.515 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 38.3 t -66.87 -37.03 83.66 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.76 34.69 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.08 86.08 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.568 -0.707 . . . . 0.0 109.805 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.473 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 82.4 m95 -107.77 171.99 7.08 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.359 0.599 . . . . 0.0 109.767 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.503 ' OD2' HD12 ' A' ' 80' ' ' LEU . 37.5 m-20 -68.4 130.84 44.06 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.3 pp20? -63.33 -26.9 68.98 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.404 -0.81 . . . . 0.0 110.482 -178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.8 m -77.93 -45.01 25.18 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.059 -1.025 . . . . 0.0 108.869 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.503 HD12 ' OD2' ' A' ' 77' ' ' ASP . 84.9 mt -63.19 -38.41 91.05 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.515 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.8 mt -71.41 -33.14 69.19 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 8.9 t70 -55.56 -48.51 74.65 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -67.71 -33.42 74.86 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.814 ' HA ' HD13 ' A' ' 17' ' ' LEU . 25.3 t80 -67.18 -27.54 67.36 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.658 -0.651 . . . . 0.0 109.694 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -78.41 -43.83 26.43 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.125 -0.984 . . . . 0.0 109.156 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.2 m -64.3 -37.74 88.55 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.8 -0.563 . . . . 0.0 109.565 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.935 ' HG3' HD11 ' A' ' 17' ' ' LEU . 48.0 mm-40 -72.22 -36.83 69.25 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 121.484 -0.76 . . . . 0.0 109.41 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 84' ' ' PHE . 47.3 mt -66.23 -37.03 84.57 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.55 -0.719 . . . . 0.0 109.766 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.29 -39.52 59.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.342 -0.849 . . . . 0.0 109.993 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.78 -48.4 69.13 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.364 -0.835 . . . . 0.0 109.563 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.64 -28.25 69.49 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.504 -0.748 . . . . 0.0 109.066 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.629 ' HG ' HG21 ' A' ' 60' ' ' ILE . 2.0 mt -67.14 -43.77 81.49 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.406 -0.809 . . . . 0.0 108.975 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -60.78 -36.82 79.95 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -66.96 -41.23 87.26 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.558 -0.714 . . . . 0.0 109.274 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.04 -47.94 80.86 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.737 -0.602 . . . . 0.0 110.264 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 100' ' ' ILE . 26.7 pt-20 -70.66 -26.66 63.55 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.392 -0.817 . . . . 0.0 110.299 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.9 79.19 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.304 -0.872 . . . . 0.0 109.09 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.449 ' HB2' HG21 ' A' ' 53' ' ' ILE . 85.2 m -61.74 -45.97 91.62 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.26 -41.18 86.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 O-C-N 121.899 -0.501 . . . . 0.0 110.055 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 96' ' ' GLU . 85.3 mt -65.27 -54.02 33.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 O-C-N 121.356 -0.84 . . . . 0.0 110.004 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.642 ' HB2' HG22 ' A' ' 103' ' ' VAL . 81.7 mm-40 -71.11 172.81 8.5 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.74 -0.6 . . . . 0.0 110.013 -178.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.65 -21.19 64.73 Favored Glycine 0 CA--C 1.536 1.388 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.825 HG21 ' CB ' ' A' ' 1' ' ' CYS . 35.9 m -64.59 177.68 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 O-C-N 121.314 -1.109 . . . . 0.0 109.959 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.777 ' HA2' ' HB1' ' A' ' 50' ' ' ALA . . . 82.27 -137.72 17.43 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 51' ' ' GLU . 13.8 p -159.07 144.91 7.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 O-C-N 121.498 -1.001 . . . . 0.0 109.464 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -168.66 148.48 4.42 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 121.873 0.844 . . . . 0.0 110.38 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -158.17 -65.48 0.09 Allowed 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.584 HG23 HD13 ' A' ' 110' ' ' LEU . 5.0 t -169.91 135.79 1.29 Allowed Pre-proline 0 C--O 1.218 -0.598 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -72.18 94.1 0.74 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 O-C-N 123.551 1.29 . . . . 0.0 111.868 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.584 HD13 HG23 ' A' ' 108' ' ' THR . 6.0 mp -122.65 -64.18 1.21 Allowed 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 ptm -114.47 12.7 17.46 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -68.61 -31.3 70.36 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.268 -0.895 . . . . 0.0 109.65 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.4 10.81 11.74 Favored 'General case' 0 C--O 1.211 -0.951 0 O-C-N 121.359 -0.838 . . . . 0.0 110.308 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -79.24 -43.98 22.68 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 120.741 -1.225 . . . . 0.0 108.898 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.497 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 19.5 t -66.54 -40.03 88.86 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.733 HG12 ' HA ' ' A' ' 55' ' ' VAL . 53.2 mt -68.72 -31.22 49.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.23 -33.78 75.02 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.548 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.85 -48.69 73.4 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.76 -30.85 51.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -68.1 -40.23 82.66 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.246 -0.909 . . . . 0.0 109.697 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -68.47 -35.99 78.34 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.408 -0.808 . . . . 0.0 108.925 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 126' ' ' ILE . 83.0 t80 -63.85 -47.24 81.52 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 62' ' ' GLN . 13.1 m-85 -70.46 -26.01 63.44 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.754 -0.591 . . . . 0.0 110.107 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -64.28 -41.34 96.95 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -67.63 -38.36 83.76 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.787 HD11 ' CE2' ' A' ' 122' ' ' TYR . 57.8 mt -62.27 -38.04 80.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 O-C-N 121.607 -0.683 . . . . 0.0 109.525 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.452 HG22 ' HE2' ' A' ' 131' ' ' LYS . 23.1 m -67.32 -41.28 85.56 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.405 -0.809 . . . . 0.0 109.666 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.2 mm? -67.95 -36.21 79.72 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.425 -0.797 . . . . 0.0 109.579 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -63.24 -38.86 92.83 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.498 -0.751 . . . . 0.0 109.342 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 135' ' ' TYR . 64.0 mt -67.28 -42.43 83.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.759 -0.588 . . . . 0.0 109.478 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.46 ' HE3' HD13 ' A' ' 128' ' ' LEU . 56.0 mtmt -70.57 -24.02 62.7 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.802 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.01 -49.17 25.57 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.317 -0.864 . . . . 0.0 109.56 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.487 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 13.4 mptt -80.67 1.86 28.28 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.574 -0.704 . . . . 0.0 109.796 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp 60.73 40.02 16.71 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.384 -0.823 . . . . 0.0 109.924 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' A' ' 130' ' ' LEU . 67.2 m-85 58.83 51.66 7.29 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.703 -0.623 . . . . 0.0 110.43 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.437 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 38.2 m -79.21 160.6 70.4 Favored Pre-proline 0 C--O 1.217 -0.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.254 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.8 -36.15 14.4 Favored 'Trans proline' 0 C--N 1.35 0.638 0 O-C-N 123.744 1.392 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.42 -41.99 75.61 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.475 -0.766 . . . . 0.0 109.145 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.53 -36.45 83.85 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.583 -0.698 . . . . 0.0 109.63 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.45 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.0 m95 -68.95 -39.3 79.6 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 110.055 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.7 -36.53 82.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 109.145 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.658 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.4 t -62.67 -42.82 97.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 139' ' ' ALA . 96.7 t -72.36 -24.2 21.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 121.722 -0.611 . . . . 0.0 109.763 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.472 ' NH1' ' HB3' ' A' ' 144' ' ' ARG . 0.2 OUTLIER -69.99 -47.01 63.92 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.091 -1.006 . . . . 0.0 108.888 179.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.11 79.74 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.455 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 56.5 mm-40 -66.52 -37.16 84.42 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.635 -0.665 . . . . 0.0 109.409 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 9.7 mm -69.42 -36.95 74.15 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.597 ' CG ' HD22 ' A' ' 15' ' ' LEU . 25.7 ttm -63.89 -49.68 71.73 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.503 -0.748 . . . . 0.0 109.882 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.61 -44.4 90.69 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.686 -0.634 . . . . 0.0 110.21 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.504 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 64.8 m -65.37 -30.83 71.7 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.969 ' HB3' HD21 ' A' ' 15' ' ' LEU . 34.2 t80 -71.64 -42.57 67.41 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.567 -0.708 . . . . 0.0 109.579 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.8 t -65.96 -35.88 81.8 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.538 -0.726 . . . . 0.0 109.234 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 62.7 mt -65.62 -48.49 72.05 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.646 -0.659 . . . . 0.0 110.046 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.601 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 12.4 m -63.86 -45.21 90.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.615 -0.678 . . . . 0.0 110.147 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.429 HG21 ' CE2' ' A' ' 151' ' ' PHE . 67.8 p -78.12 -7.97 57.66 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.447 -0.783 . . . . 0.0 110.875 -178.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -64.52 -17.56 64.01 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.892 -1.13 . . . . 0.0 110.484 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.768 HD21 ' O ' ' A' ' 43' ' ' PHE . 4.1 mm? -66.26 -26.51 67.38 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 120.984 -1.072 . . . . 0.0 110.211 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -52.86 -48.5 67.04 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.289 -0.882 . . . . 0.0 109.03 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -145.77 113.48 6.39 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.459 ' HB2' HD12 ' A' ' 161' ' ' LEU . 31.4 p -105.62 -79.32 0.56 Allowed 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.868 -0.52 . . . . 0.0 110.487 -177.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 160' ' ' SER . 4.4 mp -135.65 -172.12 3.01 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.12 -0.987 . . . . 0.0 110.223 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -107.47 58.75 0.62 Allowed 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 121.519 0.676 . . . . 0.0 109.319 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 81.5 p -67.56 157.52 34.19 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.287 -0.883 . . . . 0.0 109.923 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 164' ' ' LYS . 55.2 tptt -95.03 62.68 2.6 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 118.375 -0.821 . . . . 0.0 109.227 -179.642 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.628 ' HB2' HG21 ' A' ' 103' ' ' VAL . 22.2 p . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.319 0.58 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -147.52 65.12 1.13 Allowed 'General case' 0 C--O 1.22 -0.473 0 O-C-N 121.504 -0.748 . . . . 0.0 109.508 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.797 HD21 HG21 ' A' ' 103' ' ' VAL . 1.1 mm? -93.94 -54.11 0.24 Allowed Pre-proline 0 C--O 1.217 -0.645 0 O-C-N 121.431 -0.793 . . . . 0.0 109.193 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.761 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 54.0 Cg_endo -89.42 170.23 4.7 Favored 'Trans proline' 0 C--N 1.358 1.038 0 O-C-N 123.352 1.185 . . . . 0.0 110.391 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -153.14 66.09 0.78 Allowed 'General case' 0 C--O 1.219 -0.547 0 O-C-N 121.335 -0.853 . . . . 0.0 109.536 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 p -136.99 -86.42 0.31 Allowed 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.429 -0.795 . . . . 0.0 109.282 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -109.16 157.57 18.64 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.351 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.7 p -171.95 102.48 0.18 Allowed 'General case' 0 C--O 1.219 -0.526 0 O-C-N 121.523 -0.735 . . . . 0.0 109.839 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -172.1 84.29 0.07 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.596 -0.69 . . . . 0.0 109.24 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA3' ' HG2' ' A' ' 91' ' ' GLN . . . -111.15 -52.33 0.57 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.769 ' HB3' HG21 ' A' ' 155' ' ' THR . 66.0 m -56.18 -36.73 68.7 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.776 -0.838 . . . . 0.0 110.711 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -48.03 77.91 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.373 -0.829 . . . . 0.0 110.07 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.18 -30.19 66.11 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.303 -0.873 . . . . 0.0 110.061 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.541 ' CG2' ' HE1' ' A' ' 84' ' ' PHE . 88.8 m -61.58 -43.56 98.64 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.208 -0.933 . . . . 0.0 109.154 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 151' ' ' PHE . 34.4 mt -70.98 -32.2 68.97 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 ttp -63.59 -35.39 80.36 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.992 HD13 ' HA ' ' A' ' 84' ' ' PHE . 45.6 mt -63.67 -46.66 84.59 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD12 HD23 ' A' ' 15' ' ' LEU . 65.5 mt -57.48 -35.33 70.05 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.869 -0.519 . . . . 0.0 109.78 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.85 88.18 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.826 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.17 -34.91 73.58 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.477 -0.764 . . . . 0.0 109.832 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.493 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 16.0 mtm -66.1 -27.86 68.38 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.417 -0.802 . . . . 0.0 110.097 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -47.48 122.69 4.95 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.576 -0.703 . . . . 0.0 109.919 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 11.9 mtpt -106.69 -33.18 7.69 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.923 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -128.43 171.41 16.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.648 -0.657 . . . . 0.0 110.055 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -92.56 151.85 19.93 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.673 -0.642 . . . . 0.0 109.588 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.43 -31.69 72.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -68.04 -38.4 82.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.456 -0.778 . . . . 0.0 109.093 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.5 m -66.91 -29.14 68.95 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.487 -0.758 . . . . 0.0 109.12 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.923 ' SG ' HD12 ' A' ' 24' ' ' ILE . 32.0 m -108.88 51.2 0.75 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.56 -0.713 . . . . 0.0 110.057 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.7 mt -82.0 -0.91 46.33 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.119 -0.988 . . . . 0.0 110.231 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.43 -27.13 34.84 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.282 -0.886 . . . . 0.0 109.063 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.762 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.4 m-20 -104.0 21.19 16.84 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 109.434 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -78.2 123.12 26.55 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.117 -0.989 . . . . 0.0 110.075 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 123.12 5.24 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.8 121.08 16.55 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.433 -0.792 . . . . 0.0 109.471 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.546 ' HE2' ' HB2' ' A' ' 129' ' ' TYR . 77.3 m-85 -75.93 -52.6 9.94 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.649 -0.657 . . . . 0.0 109.498 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.88 66.3 0.34 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.516 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 68.9 t80 -66.29 127.67 93.4 Favored Pre-proline 0 C--O 1.215 -0.717 0 O-C-N 121.519 -0.989 . . . . 0.0 108.782 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.687 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 54.3 Cg_endo -79.58 71.53 6.99 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.748 1.394 . . . . 0.0 111.108 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.543 ' OE1' HD22 ' A' ' 153' ' ' LEU . 7.4 tt0 -75.06 -15.29 60.63 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.304 -0.872 . . . . 0.0 109.308 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.59 -31.32 69.35 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.289 -0.882 . . . . 0.0 108.793 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 2.4 tp10 -93.29 24.14 4.04 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.488 -0.758 . . . . 0.0 109.352 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 26.6 m-85 -136.89 23.5 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.181 -0.95 . . . . 0.0 109.59 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.73 -96.01 2.09 Favored Glycine 0 C--O 1.217 -0.939 0 O-C-N 120.825 -1.172 . . . . 0.0 110.562 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -73.82 143.49 45.91 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.853 -0.792 . . . . 0.0 109.24 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 60.1 28.5 18.06 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.534 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 38.2 m-85 -147.88 55.84 1.07 Allowed 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.492 -0.755 . . . . 0.0 109.015 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -74.74 -179.08 3.95 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.367 -0.833 . . . . 0.0 109.532 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' HG3' ' A' ' 158' ' ' GLN . 25.4 mtpt -70.6 -12.8 61.79 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.146 -0.971 . . . . 0.0 110.725 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.576 ' HA ' HD11 ' A' ' 53' ' ' ILE . . . -103.79 2.92 33.43 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.306 -0.871 . . . . 0.0 109.55 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -116.27 -33.35 5.01 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.359 -0.838 . . . . 0.0 109.826 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.534 ' CG2' ' HB3' ' A' ' 47' ' ' PHE . 38.2 p -84.94 2.57 42.24 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 121.53 -0.731 . . . . 0.0 110.098 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.658 HD13 ' SG ' ' A' ' 98' ' ' CYS . 76.9 mt -47.78 -48.39 60.68 Favored Pre-proline 0 C--O 1.216 -0.684 0 O-C-N 121.364 -0.835 . . . . 0.0 111.22 -178.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -65.24 -35.52 40.59 Favored 'Trans proline' 0 C--N 1.353 0.801 0 O-C-N 123.247 1.13 . . . . 0.0 110.696 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.765 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.9 t -69.96 -38.57 75.79 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.617 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 86.1 mt -69.26 -29.85 67.84 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -67.48 -45.33 76.21 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.458 -0.776 . . . . 0.0 109.122 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.667 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.1 tm-20 -74.45 -29.8 61.61 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.193 -0.942 . . . . 0.0 109.73 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -66.4 -45.93 78.31 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.277 -0.889 . . . . 0.0 109.159 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.69 HG23 HD22 ' A' ' 88' ' ' LEU . 26.9 mt -71.01 -24.22 24.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 121.616 -0.677 . . . . 0.0 109.325 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -72.87 -35.14 67.11 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.08 -39.28 75.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.715 -0.616 . . . . 0.0 109.461 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 67' ' ' PHE . 73.5 mt -71.67 -34.34 51.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' HA ' HD13 ' A' ' 88' ' ' LEU . 46.1 t80 -59.71 -44.07 93.85 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.464 -0.773 . . . . 0.0 109.581 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.675 ' O ' HG23 ' A' ' 69' ' ' THR . 20.2 t-20 -79.71 -38.89 32.42 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.586 -0.697 . . . . 0.0 109.94 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 130' ' ' LEU . 38.1 tp -57.43 -32.33 66.79 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.469 -0.769 . . . . 0.0 109.803 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 63' ' ' ILE . 25.4 m-85 -96.23 -29.62 13.92 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.45 -0.781 . . . . 0.0 109.806 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.2 t -68.39 -20.81 64.7 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.357 -0.839 . . . . 0.0 110.259 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 65' ' ' ASN . 24.3 p -55.31 149.95 12.11 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.319 -0.863 . . . . 0.0 109.934 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 48.0 mmtm -64.31 -21.9 66.77 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.56 -0.713 . . . . 0.0 110.241 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 0.8 OUTLIER -76.2 -37.66 57.5 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.685 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.471 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 29.5 t -82.08 -30.7 31.14 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.217 -0.927 . . . . 0.0 109.838 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 98.6 p -66.45 -37.74 85.81 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.523 -0.736 . . . . 0.0 109.241 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -20.48 43.96 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.56 -32.97 62.59 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.38 -0.825 . . . . 0.0 110.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.566 ' CE3' ' HD2' ' A' ' 23' ' ' LYS . 80.5 m95 -117.82 174.34 6.24 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.562 -0.711 . . . . 0.0 109.929 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' HB2' HD12 ' A' ' 80' ' ' LEU . 2.9 m-20 -69.34 133.76 48.24 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -65.56 -29.09 69.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.475 -0.765 . . . . 0.0 110.522 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.9 m -78.43 -42.46 29.98 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.493 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 96.4 mt -64.74 -37.48 87.75 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.23 -33.21 69.67 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.65 -49.15 75.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.93 -33.61 76.22 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.992 ' HA ' HD13 ' A' ' 17' ' ' LEU . 7.6 t80 -66.44 -30.71 71.13 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.725 -0.609 . . . . 0.0 109.68 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -74.89 -41.47 59.7 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.196 -0.94 . . . . 0.0 109.25 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.7 m -65.8 -38.47 89.06 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.621 -0.674 . . . . 0.0 109.516 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.84 ' HG3' HD11 ' A' ' 17' ' ' LEU . 63.2 mm-40 -74.46 -30.5 61.89 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.454 -0.778 . . . . 0.0 109.682 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.69 HD22 HG23 ' A' ' 60' ' ' ILE . 48.4 mt -69.92 -35.33 74.48 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CE2' ' CZ ' ' A' ' 64' ' ' PHE . 2.2 m-85 -72.27 -38.17 68.87 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.7 -0.625 . . . . 0.0 109.919 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -71.65 -39.56 70.26 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.317 -0.865 . . . . 0.0 109.683 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.594 ' HB3' HD13 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -65.92 -36.22 82.78 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.23 -50.6 67.37 Favored 'General case' 0 C--O 1.212 -0.9 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -54.87 -43.27 73.0 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.941 -0.474 . . . . 0.0 109.929 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.41 -46.97 86.16 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.35 -0.844 . . . . 0.0 108.781 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.595 HD23 HG23 ' A' ' 53' ' ' ILE . 56.9 mt -60.54 -27.89 68.01 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 109.977 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 100' ' ' ILE . 86.2 tt0 -79.13 -35.86 41.49 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 121.349 -0.844 . . . . 0.0 109.936 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.0 -44.8 64.28 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.599 -0.688 . . . . 0.0 109.799 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.658 ' SG ' HD13 ' A' ' 53' ' ' ILE . 90.5 m -61.15 -46.34 90.94 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 95' ' ' LEU . 46.1 t -61.0 -31.74 50.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.866 -0.521 . . . . 0.0 110.505 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 96' ' ' GLU . 71.5 mt -57.49 -53.67 41.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 121.225 -0.922 . . . . 0.0 109.821 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.97 175.06 8.81 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.707 -0.621 . . . . 0.0 109.96 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.57 -34.49 86.2 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.797 HG21 HD21 ' A' ' 3' ' ' LEU . 3.1 m -53.1 158.71 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 O-C-N 121.762 -0.846 . . . . 0.0 110.158 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.74 -61.28 2.37 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -111.92 176.31 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 O-C-N 121.769 -0.842 . . . . 0.0 109.415 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.722 HG23 ' H ' ' A' ' 108' ' ' THR . 12.6 t -169.79 -160.01 0.23 Allowed 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.28 -0.888 . . . . 0.0 109.59 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 108' ' ' THR . 97.0 mt-10 -57.62 -21.05 37.17 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.5 -0.75 . . . . 0.0 110.99 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.722 ' H ' HG23 ' A' ' 106' ' ' THR . 9.2 t -36.68 136.88 0.56 Allowed Pre-proline 0 N--CA 1.473 0.716 0 O-C-N 121.813 -0.554 . . . . 0.0 111.245 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.71 174.0 8.21 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 O-C-N 124.3 1.684 . . . . 0.0 111.672 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.07 -7.66 0.15 Allowed 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.2 ptm -47.99 -26.46 1.78 Allowed 'General case' 0 C--O 1.213 -0.831 0 O-C-N 120.816 -1.178 . . . . 0.0 110.824 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -60.13 -21.39 61.53 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.823 -1.173 . . . . 0.0 110.061 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.38 -34.92 54.83 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.282 -0.886 . . . . 0.0 110.852 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 2.8 p30 -62.55 -23.22 66.88 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.786 -1.196 . . . . 0.0 110.45 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.616 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 32.6 t -69.42 -41.72 75.97 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.765 HG12 ' HA ' ' A' ' 55' ' ' VAL . 78.2 mt -68.67 -37.73 77.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 117' ' ' LEU . 43.4 mt -63.7 -34.17 77.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.76 -0.588 . . . . 0.0 109.487 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.687 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.91 -44.73 84.33 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.75 -25.6 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -71.33 -44.52 64.93 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.152 -0.967 . . . . 0.0 109.768 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -71.64 -26.44 62.55 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.373 -0.829 . . . . 0.0 109.233 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.72 ' CE2' HD11 ' A' ' 126' ' ' ILE . 80.7 t80 -68.13 -52.03 39.48 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.434 -0.791 . . . . 0.0 109.038 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.417 ' HA ' HD12 ' A' ' 126' ' ' ILE . 16.2 m-85 -67.49 -27.36 66.94 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.746 -0.596 . . . . 0.0 109.929 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -62.74 -42.02 99.46 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -66.6 -37.16 84.31 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.72 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.6 mt -63.08 -37.54 79.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.62 -0.675 . . . . 0.0 109.522 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.5 m -67.33 -41.62 84.95 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.395 -0.816 . . . . 0.0 109.667 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -69.33 -33.89 73.82 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.299 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.546 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 20.6 t80 -65.0 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.498 -0.751 . . . . 0.0 109.328 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 50.1 mt -68.01 -39.25 83.2 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.692 -0.63 . . . . 0.0 109.506 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.8 -25.37 61.12 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.099 -1.0 . . . . 0.0 109.868 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.2 -47.6 49.41 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.298 -0.876 . . . . 0.0 109.124 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -81.9 2.86 28.52 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.88 -0.513 . . . . 0.0 109.83 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 90.3 mttt 61.86 36.48 15.94 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.504 -0.748 . . . . 0.0 110.034 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 64.8 m-85 58.28 49.19 11.44 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.632 -0.667 . . . . 0.0 110.181 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.454 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 25.4 m -78.16 161.63 69.87 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.295 -0.878 . . . . 0.0 109.497 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.2 Cg_endo -69.19 -34.27 16.86 Favored 'Trans proline' 0 C--N 1.352 0.718 0 O-C-N 123.773 1.407 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.41 -39.26 68.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.417 -0.802 . . . . 0.0 109.078 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.428 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.6 -40.02 94.77 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.471 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 24.1 m95 -67.89 -31.56 71.45 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.632 -0.667 . . . . 0.0 109.76 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -65.86 -39.97 91.23 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.332 -0.855 . . . . 0.0 108.898 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.762 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.7 t -67.34 -41.37 86.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 139' ' ' ALA . 66.1 t -70.86 -23.27 23.65 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 O-C-N 121.623 -0.673 . . . . 0.0 109.509 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.442 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 27.6 ttp85 -72.69 -46.71 52.37 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.542 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.05 75.23 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.79 -37.58 70.41 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.617 -0.677 . . . . 0.0 109.686 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -68.83 -38.03 78.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 O-C-N 121.311 -0.868 . . . . 0.0 108.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 31.9 ttm -64.06 -49.91 70.46 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.608 -0.683 . . . . 0.0 109.832 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -33.22 74.41 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.771 -0.581 . . . . 0.0 111.06 -178.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.9 m -72.48 -49.31 33.99 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.164 -0.96 . . . . 0.0 109.329 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.625 ' HB3' HD21 ' A' ' 15' ' ' LEU . 40.9 t80 -65.87 -31.53 72.53 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.589 -0.694 . . . . 0.0 109.483 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 39.0 m -71.81 -40.96 68.81 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.543 HD22 ' OE1' ' A' ' 40' ' ' GLN . 20.7 mt -61.17 -43.36 99.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 121.215 0.531 . . . . 0.0 109.94 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.617 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.7 m -65.74 -37.72 87.17 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.703 -0.623 . . . . 0.0 110.082 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.769 HG21 ' HB3' ' A' ' 11' ' ' SER . 66.8 p -92.13 1.82 56.97 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.439 -0.788 . . . . 0.0 110.272 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -81.49 1.55 32.88 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 121.258 -0.901 . . . . 0.0 111.099 -178.16 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 43' ' ' PHE . 4.2 mm? -54.57 -33.42 60.23 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.667 -1.271 . . . . 0.0 111.041 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.458 ' HG3' ' CD ' ' A' ' 49' ' ' LYS . 60.8 mt-30 -70.71 -57.58 4.53 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.175 -0.953 . . . . 0.0 110.661 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.43 ' HB3' ' ND2' ' A' ' 156' ' ' ASN . 6.3 tp10 -74.75 -24.35 58.69 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.245 -0.909 . . . . 0.0 110.495 -178.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 37.9 t -139.86 94.76 2.8 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.46 -55.7 19.08 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.618 -0.676 . . . . 0.0 109.738 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -125.36 -57.52 1.48 Allowed 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.457 -0.777 . . . . 0.0 109.571 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 67.5 m -142.16 71.43 1.35 Allowed 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.444 -0.785 . . . . 0.0 109.424 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' A' ' 164' ' ' LYS . 22.9 tptm -147.35 68.09 1.14 Allowed 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.299 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 121.542 0.686 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -99.77 71.01 1.66 Allowed 'General case' 0 C--O 1.219 -0.513 0 O-C-N 121.786 -0.572 . . . . 0.0 109.94 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.549 ' HB2' ' CD ' ' A' ' 4' ' ' PRO . 10.7 mp -74.74 -66.58 0.44 Allowed Pre-proline 0 C--O 1.217 -0.623 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 3' ' ' LEU . 44.9 Cg_endo -70.47 169.36 19.99 Favored 'Trans proline' 0 C--N 1.353 0.809 0 O-C-N 123.577 1.304 . . . . 0.0 109.982 175.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -99.02 62.03 1.27 Allowed 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.194 -0.941 . . . . 0.0 109.748 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -142.38 59.88 1.45 Allowed 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.43 -0.794 . . . . 0.0 109.189 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -127.42 -174.63 3.22 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.271 -0.893 . . . . 0.0 109.72 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -77.03 174.97 10.04 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.354 -0.841 . . . . 0.0 109.892 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -126.78 79.76 1.89 Allowed 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.494 -0.753 . . . . 0.0 109.073 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.0 -37.06 30.15 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 155' ' ' THR . 35.0 p -58.98 -51.13 71.38 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.216 -1.167 . . . . 0.0 110.501 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -63.9 -36.78 85.06 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.409 -0.807 . . . . 0.0 109.367 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -67.78 -35.35 78.51 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.561 -0.712 . . . . 0.0 109.284 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.5 m -62.24 -44.39 96.67 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.581 -0.7 . . . . 0.0 109.204 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 151' ' ' PHE . 95.7 mt -68.45 -32.93 73.3 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.583 -0.698 . . . . 0.0 109.594 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.6 ttp -64.89 -38.32 90.57 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.302 -0.874 . . . . 0.0 108.876 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 84' ' ' PHE . 79.9 mt -63.33 -40.84 98.42 Favored 'General case' 0 C--O 1.212 -0.868 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 15' ' ' LEU . 48.6 mt -61.18 -36.25 79.33 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.758 -0.589 . . . . 0.0 109.626 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.02 90.97 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.5 -0.75 . . . . 0.0 109.572 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -71.09 -30.33 66.41 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.293 -0.879 . . . . 0.0 109.601 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.466 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 34.9 mtp -68.23 -27.28 66.22 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.534 -0.729 . . . . 0.0 110.041 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -49.22 126.4 12.75 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.455 -0.778 . . . . 0.0 109.519 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 76' ' ' TRP . 17.3 mtpt -112.64 -27.13 8.31 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.794 -0.566 . . . . 0.0 109.676 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.801 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.2 pt -128.73 170.34 18.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 O-C-N 121.447 -0.783 . . . . 0.0 109.952 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.8 m -84.09 137.64 33.46 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 30' ' ' LEU . 53.9 tp -60.74 -39.86 90.28 Favored 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.766 ' HA ' HD13 ' A' ' 30' ' ' LEU . 83.1 m-85 -60.81 -40.13 91.55 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -59.83 -30.58 69.04 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.801 ' SG ' HD12 ' A' ' 24' ' ' ILE . 63.0 m -102.53 50.6 0.82 Allowed 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.648 -0.658 . . . . 0.0 109.6 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.766 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -88.64 10.88 19.07 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.332 -0.855 . . . . 0.0 109.719 178.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -97.23 -25.38 15.3 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.299 -0.876 . . . . 0.0 109.395 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.578 ' O ' HG21 ' A' ' 142' ' ' VAL . 4.2 m-20 -116.32 23.32 12.19 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.423 -0.798 . . . . 0.0 109.896 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -86.36 123.57 31.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.008 -1.057 . . . . 0.0 109.292 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -144.71 132.38 21.07 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.76 114.2 7.73 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.503 -0.748 . . . . 0.0 109.157 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.65 ' HE1' ' HB2' ' A' ' 129' ' ' TYR . 60.4 m-85 -69.38 -51.94 31.9 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.119 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.59 67.71 0.54 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 54.1 t80 -72.28 133.18 83.49 Favored Pre-proline 0 C--O 1.216 -0.664 0 O-C-N 121.633 -0.922 . . . . 0.0 109.195 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 122' ' ' TYR . 53.5 Cg_endo -79.83 81.07 2.87 Favored 'Trans proline' 0 C--N 1.352 0.73 0 O-C-N 123.722 1.38 . . . . 0.0 110.89 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 5.4 tm0? -88.4 -17.91 29.48 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.242 -0.911 . . . . 0.0 109.49 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.66 -32.39 69.05 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 109.159 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -94.22 26.74 3.17 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.351 -0.843 . . . . 0.0 109.271 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 8.1 m-85 -131.7 12.57 4.87 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.275 -0.89 . . . . 0.0 109.772 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.671 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -106.29 -94.86 2.37 Favored Glycine 0 C--O 1.217 -0.947 0 O-C-N 120.747 -1.22 . . . . 0.0 110.386 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -65.77 134.4 53.06 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.902 -0.763 . . . . 0.0 109.804 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 65.49 28.21 11.54 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 59.4 m-85 -149.59 46.67 0.95 Allowed 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.318 -0.864 . . . . 0.0 109.725 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.987 ' HB3' HD12 ' A' ' 157' ' ' LEU . 18.5 pt20 -157.92 151.94 24.2 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 120.951 -1.093 . . . . 0.0 110.648 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt 59.23 85.47 0.1 Allowed 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.79 -0.569 . . . . 0.0 110.051 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 56.54 57.54 4.77 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.61 -0.681 . . . . 0.0 109.714 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -148.73 -51.35 0.16 Allowed 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.451 -0.781 . . . . 0.0 109.54 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.522 ' CG2' ' HB3' ' A' ' 47' ' ' PHE . 2.9 p -90.73 10.23 26.76 Favored 'General case' 0 C--O 1.208 -1.127 0 O-C-N 121.83 -0.544 . . . . 0.0 110.274 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.771 HG23 HD23 ' A' ' 95' ' ' LEU . 37.6 mt -54.36 -41.98 91.82 Favored Pre-proline 0 C--O 1.214 -0.787 0 O-C-N 120.933 -1.104 . . . . 0.0 110.685 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 38.2 Cg_endo -68.9 -37.25 11.72 Favored 'Trans proline' 0 C--N 1.356 0.958 0 O-C-N 123.06 1.032 . . . . 0.0 110.301 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.798 ' HA ' HG12 ' A' ' 116' ' ' ILE . 41.3 t -68.77 -47.14 77.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.617 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 67.3 mt -60.24 -35.05 74.6 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' HD23 ' A' ' 92' ' ' LEU . 60.5 t-80 -60.53 -47.97 83.84 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.64 -0.663 . . . . 0.0 109.393 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.613 ' HG2' ' CG2' ' A' ' 116' ' ' ILE . 5.4 tp10 -69.35 -30.66 68.73 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.268 -0.895 . . . . 0.0 109.486 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 ttm -64.5 -39.9 94.64 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.369 -0.832 . . . . 0.0 108.899 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.648 HG21 ' HG ' ' A' ' 92' ' ' LEU . 9.6 mm -65.68 -36.15 76.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.36 -33.88 71.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.505 -0.747 . . . . 0.0 109.619 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.39 -40.28 74.04 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.351 -0.843 . . . . 0.0 109.328 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.606 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.2 mt -75.89 -25.18 17.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.696 ' HA ' HD13 ' A' ' 88' ' ' LEU . 56.6 t80 -68.94 -43.43 75.09 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 121.275 -0.891 . . . . 0.0 109.537 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.676 ' O ' HG23 ' A' ' 69' ' ' THR . 6.5 m120 -81.52 -35.1 30.76 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.482 -0.761 . . . . 0.0 109.645 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 130' ' ' LEU . 49.2 tp -60.3 -32.43 71.2 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.485 -0.759 . . . . 0.0 109.355 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.606 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.9 m-85 -96.76 -27.58 14.67 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.527 -0.733 . . . . 0.0 110.017 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 23.7 t -70.0 -22.95 63.07 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.296 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 65' ' ' ASN . 25.3 p -53.47 147.63 10.5 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.315 -0.866 . . . . 0.0 109.922 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -60.55 -23.54 64.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.564 -0.71 . . . . 0.0 109.99 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 46.0 m-20 -72.52 -43.79 63.08 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.546 -0.721 . . . . 0.0 109.456 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.515 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 9.5 t -79.8 -30.37 40.56 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.351 -0.843 . . . . 0.0 109.616 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.565 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 32.7 t -65.35 -37.19 86.29 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.585 -0.697 . . . . 0.0 109.285 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -24.26 32.09 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.08 67.83 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.465 -0.772 . . . . 0.0 110.102 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 23' ' ' LYS . 73.7 m95 -121.21 170.62 9.4 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.525 -0.735 . . . . 0.0 109.931 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -65.63 133.15 50.54 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.63 -28.98 69.98 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.5 -0.75 . . . . 0.0 110.508 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -78.24 -43.78 27.37 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.048 -1.033 . . . . 0.0 109.063 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 80' ' ' LEU . 61.2 mt -62.87 -36.66 84.01 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.565 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.94 -34.04 68.71 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -56.21 -50.92 69.88 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.22 -35.49 81.22 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.865 ' HA ' HD13 ' A' ' 17' ' ' LEU . 26.0 t80 -61.57 -31.67 71.72 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.664 -0.647 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -76.21 -32.99 59.26 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.5 m -69.35 -36.02 76.46 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.535 -0.728 . . . . 0.0 109.493 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' OE1' HD11 ' A' ' 17' ' ' LEU . 1.2 mp0 -76.91 -28.1 55.16 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.323 -0.861 . . . . 0.0 109.368 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.696 HD13 ' HA ' ' A' ' 64' ' ' PHE . 65.1 mt -73.09 -40.11 65.28 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.454 -0.779 . . . . 0.0 109.296 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.82 -32.97 52.55 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 179.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.29 -46.01 74.87 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 5.9 tp-100 -68.18 -26.56 65.81 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.648 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.8 mt -72.7 -35.52 67.65 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.354 -0.841 . . . . 0.0 109.848 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -75.64 -39.97 56.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.256 -0.903 . . . . 0.0 109.0 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -66.04 -39.18 89.94 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.771 HD23 HG23 ' A' ' 53' ' ' ILE . 43.5 mt -68.59 -40.44 80.47 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.551 ' O ' HG12 ' A' ' 100' ' ' ILE . 86.0 tt0 -67.95 -28.53 67.54 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 121.502 -0.749 . . . . 0.0 110.02 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.34 -49.13 45.54 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.632 -0.667 . . . . 0.0 110.707 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.528 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 2.4 m -59.45 -45.44 91.58 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.235 -0.915 . . . . 0.0 108.582 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.5 t -61.4 -30.69 48.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.671 0 O-C-N 121.856 -0.527 . . . . 0.0 110.161 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 96' ' ' GLU . 42.6 mm -66.58 -57.07 11.6 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 O-C-N 121.061 -1.024 . . . . 0.0 108.806 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -82.25 -173.92 4.82 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.576 -0.703 . . . . 0.0 109.696 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.69 -35.48 40.49 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 3' ' ' LEU . 14.3 m -53.55 145.84 3.38 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.869 0 O-C-N 121.597 -0.943 . . . . 0.0 109.947 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.528 ' HA3' ' HB3' ' A' ' 98' ' ' CYS . . . 120.07 -63.83 0.46 Allowed Glycine 0 C--O 1.216 -1.007 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.455 HG11 ' HG3' ' A' ' 54' ' ' PRO . 12.9 m -145.03 86.97 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 O-C-N 121.643 -0.916 . . . . 0.0 109.869 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 106' ' ' THR . 89.5 m -122.36 3.6 9.72 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.873 0.844 . . . . 0.0 110.056 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -130.81 -26.39 2.21 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 121.85 -0.531 . . . . 0.0 109.916 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.6 p -78.55 138.07 58.96 Favored Pre-proline 0 C--O 1.216 -0.661 0 O-C-N 121.162 -0.962 . . . . 0.0 109.813 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.518 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 43.6 Cg_endo -73.47 174.25 12.48 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 O-C-N 124.251 1.658 . . . . 0.0 110.665 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.512 ' H ' HD22 ' A' ' 110' ' ' LEU . 2.9 mm? -55.57 -9.2 0.46 Allowed 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.633 -0.667 . . . . 0.0 111.258 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.518 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 18.7 ptm -50.86 -23.62 2.94 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.129 -0.982 . . . . 0.0 110.819 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -53.67 -32.04 50.09 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.449 -0.782 . . . . 0.0 110.199 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.39 -37.08 84.45 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.342 -0.849 . . . . 0.0 109.577 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -62.54 -32.92 73.95 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.422 -0.798 . . . . 0.0 109.66 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.511 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 32.6 t -64.1 -41.22 97.35 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.798 HG12 ' HA ' ' A' ' 55' ' ' VAL . 80.9 mt -66.8 -36.62 77.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.56 HD23 ' HD2' ' A' ' 120' ' ' ARG . 28.0 mt -62.55 -35.37 79.23 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.85 -0.531 . . . . 0.0 109.629 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -66.75 -43.31 84.49 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 82.2 t -67.74 -27.91 39.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 O-C-N 121.669 -0.644 . . . . 0.0 109.547 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.56 ' HD2' HD23 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -69.31 -37.24 77.66 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.011 -1.056 . . . . 0.0 109.198 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -72.36 -32.99 66.93 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.359 -0.838 . . . . 0.0 108.935 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.771 ' CE2' HD11 ' A' ' 126' ' ' ILE . 72.0 t80 -64.25 -50.07 69.41 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.584 -0.698 . . . . 0.0 109.275 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -69.04 -26.6 65.06 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.743 -0.598 . . . . 0.0 110.534 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -42.24 95.27 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 2.8 tpt85 -65.99 -39.04 89.98 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.771 HD11 ' CE2' ' A' ' 122' ' ' TYR . 66.6 mt -61.05 -37.18 76.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 O-C-N 121.551 -0.718 . . . . 0.0 109.369 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.1 m -68.55 -38.41 80.76 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.543 -0.723 . . . . 0.0 109.7 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 128' ' ' LEU . 2.3 tt -67.66 -38.24 83.52 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.378 -0.826 . . . . 0.0 109.346 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.65 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 9.5 t80 -62.77 -37.44 86.67 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.555 -0.716 . . . . 0.0 109.291 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 66' ' ' LEU . 60.7 mt -67.14 -41.52 85.94 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.31 -24.79 63.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.369 -0.832 . . . . 0.0 109.874 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -47.8 45.25 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.345 -0.847 . . . . 0.0 109.408 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.57 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.3 mptt -83.41 4.48 27.35 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 58.84 39.54 23.87 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.418 -0.801 . . . . 0.0 109.669 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.9 m-85 60.6 52.8 4.35 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.541 -0.724 . . . . 0.0 109.586 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.452 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 37.2 t -78.48 151.4 77.56 Favored Pre-proline 0 C--O 1.215 -0.737 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.452 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.3 Cg_endo -63.49 -31.5 71.54 Favored 'Trans proline' 0 C--N 1.353 0.798 0 O-C-N 123.648 1.341 . . . . 0.0 111.052 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.88 -40.69 54.04 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.264 -0.898 . . . . 0.0 108.863 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.57 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -62.55 -36.25 82.04 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.515 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 19.9 m95 -71.28 -34.99 71.16 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.633 -0.667 . . . . 0.0 109.5 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.82 -37.12 86.55 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.1 t -68.53 -42.95 83.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.834 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 147' ' ' ILE . 96.1 t -69.99 -22.76 24.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 121.767 -0.583 . . . . 0.0 109.596 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.416 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 30.0 ttp85 -71.28 -47.81 54.67 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 120.993 -1.067 . . . . 0.0 108.717 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.01 72.67 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.57 -33.76 66.99 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.603 -0.685 . . . . 0.0 109.749 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 143' ' ' VAL . 12.0 mm -72.1 -37.88 61.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.552 ' HE2' ' HB2' ' A' ' 18' ' ' LEU . 36.5 ttm -65.02 -34.72 79.12 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' A' ' 149' ' ' ARG . 20.7 tpp180 -70.84 -57.5 4.55 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 121.776 -0.577 . . . . 0.0 109.976 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.518 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 19.9 p -57.86 -38.69 76.16 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.958 -0.464 . . . . 0.0 109.994 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.855 ' HB3' HD21 ' A' ' 15' ' ' LEU . 35.7 t80 -71.52 -39.38 70.79 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.411 -0.806 . . . . 0.0 109.575 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.591 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 21.8 t -68.48 -28.81 67.36 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 121.624 -0.672 . . . . 0.0 109.385 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.526 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 38.4 mt -71.97 -45.86 59.5 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.643 -0.661 . . . . 0.0 109.372 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.617 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.1 m -66.5 -40.09 89.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.798 -0.564 . . . . 0.0 110.272 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.521 HG21 ' CE2' ' A' ' 151' ' ' PHE . 74.6 p -86.65 -10.09 54.57 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.525 -0.734 . . . . 0.0 110.98 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.7 t-20 -65.89 -23.44 66.64 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 120.866 -1.146 . . . . 0.0 109.32 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.987 HD12 ' HB3' ' A' ' 48' ' ' GLN . 4.3 mm? -54.14 -30.87 50.7 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.513 -0.742 . . . . 0.0 110.194 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -56.68 -45.08 81.93 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.513 ' O ' ' C ' ' A' ' 160' ' ' SER . 38.0 tt0 -83.52 -66.84 0.84 Allowed 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.513 ' C ' ' O ' ' A' ' 159' ' ' GLU . 58.3 m 1.11 79.06 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.112 0.965 . . . . 0.0 112.249 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -68.49 121.71 16.93 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -58.42 -34.07 70.37 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.53 -0.732 . . . . 0.0 109.784 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.9 t -74.05 93.28 2.24 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.368 -0.833 . . . . 0.0 108.884 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -108.97 44.02 1.19 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.542 -0.724 . . . . 0.0 109.347 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.851 -1.071 . . . . 0.0 109.317 179.684 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.538 0.685 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -139.09 76.16 1.55 Allowed 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.617 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 1.2 mt -71.29 -52.79 8.61 Favored Pre-proline 0 C--O 1.215 -0.718 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.617 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.2 Cg_endo -81.81 121.75 3.74 Favored 'Trans proline' 0 C--N 1.352 0.759 0 O-C-N 124.048 1.551 . . . . 0.0 109.979 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -116.15 78.57 1.2 Allowed 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.411 -0.806 . . . . 0.0 109.958 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -89.73 -60.19 2.0 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.291 -0.881 . . . . 0.0 109.174 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -121.82 -179.41 4.11 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.452 -0.78 . . . . 0.0 109.293 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.7 t -173.04 139.17 0.8 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.467 -0.771 . . . . 0.0 109.474 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.84 39.02 0.27 Allowed 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.501 -0.749 . . . . 0.0 109.857 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.36 -61.39 0.6 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 155' ' ' THR . 45.5 p -63.66 -36.71 84.72 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.796 -0.826 . . . . 0.0 109.392 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -69.62 -38.14 77.12 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.614 -0.679 . . . . 0.0 109.462 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.589 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 15.8 ttt85 -69.24 -30.09 68.15 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.394 -0.816 . . . . 0.0 109.469 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.9 m -68.75 -40.0 80.02 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.062 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD21 ' HB3' ' A' ' 151' ' ' PHE . 31.3 mt -70.65 -40.99 72.7 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.777 -0.577 . . . . 0.0 110.178 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.589 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.5 ptm -63.78 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.109 -0.994 . . . . 0.0 109.074 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.908 HD13 ' HA ' ' A' ' 84' ' ' PHE . 65.6 mt -63.27 -46.38 87.08 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.5 mt -57.46 -34.89 69.48 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.782 -0.574 . . . . 0.0 109.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.54 72.98 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.473 -0.767 . . . . 0.0 109.686 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.31 -33.41 75.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.431 -0.793 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.419 ' HG3' ' HB3' ' A' ' 80' ' ' LEU . 7.7 mtp -67.03 -29.98 69.94 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.405 -0.809 . . . . 0.0 109.747 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -52.2 109.93 0.43 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.609 -0.682 . . . . 0.0 109.694 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -98.69 -35.6 10.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.57 -0.706 . . . . 0.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.2 pt -106.1 172.44 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 O-C-N 121.602 -0.686 . . . . 0.0 109.347 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.0 147.86 24.08 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.56 -32.92 74.78 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.24 -39.41 86.17 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -64.04 -27.28 69.0 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.528 -0.732 . . . . 0.0 109.15 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.866 ' SG ' HD12 ' A' ' 24' ' ' ILE . 20.1 m -113.76 54.34 0.75 Allowed 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.564 -0.71 . . . . 0.0 110.123 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.7 mt -84.03 3.02 36.38 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 120.909 -1.119 . . . . 0.0 110.075 178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -80.28 -28.47 38.32 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 109.125 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.797 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.6 m-20 -105.29 16.0 26.39 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.699 -0.626 . . . . 0.0 110.111 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 109.01 2.06 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.566 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -148.44 124.1 10.47 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.696 -0.628 . . . . 0.0 109.383 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -81.6 127.68 33.13 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.476 -0.765 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.636 ' CD2' HG12 ' A' ' 126' ' ' ILE . 20.6 m-30 -82.58 -49.58 9.71 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.47 -0.768 . . . . 0.0 109.376 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.84 71.7 0.45 Allowed Glycine 0 CA--C 1.535 1.295 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.2 t80 -65.7 130.17 94.48 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.499 -1.001 . . . . 0.0 109.035 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.2 Cg_endo -75.7 73.4 4.72 Favored 'Trans proline' 0 C--N 1.352 0.762 0 O-C-N 123.775 1.408 . . . . 0.0 110.954 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.655 ' CD ' HD22 ' A' ' 153' ' ' LEU . 4.4 tt0 -79.69 -18.94 50.12 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.348 -0.845 . . . . 0.0 109.402 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.97 -29.06 66.9 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.02 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.2 tp10 -93.84 20.11 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.474 -0.766 . . . . 0.0 109.326 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.656 ' O ' HD21 ' A' ' 157' ' ' LEU . 28.6 m-85 -135.48 17.96 3.36 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.355 -0.841 . . . . 0.0 109.692 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.04 -96.96 2.2 Favored Glycine 0 C--O 1.217 -0.954 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -74.56 150.77 39.6 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.8 -0.824 . . . . 0.0 109.236 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 66.87 16.6 10.4 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.624 -0.673 . . . . 0.0 109.23 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.5 ' HB3' ' OG1' ' A' ' 52' ' ' THR . 73.5 m-85 -146.02 67.28 1.2 Allowed 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -158.33 166.19 32.9 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.262 -0.899 . . . . 0.0 109.714 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 63.82 57.13 1.4 Allowed 'General case' 0 C--O 1.219 -0.539 0 O-C-N 121.535 -0.728 . . . . 0.0 109.41 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 60.62 58.24 2.51 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.49 -0.756 . . . . 0.0 109.818 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 77.9 mm-40 -130.79 -42.16 1.14 Allowed 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.323 -0.861 . . . . 0.0 110.124 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.635 HG22 ' HB ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -81.95 0.74 38.6 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.802 -0.561 . . . . 0.0 110.03 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.824 HD13 ' SG ' ' A' ' 98' ' ' CYS . 70.6 mt -49.69 -46.71 79.82 Favored Pre-proline 0 C--O 1.212 -0.901 0 O-C-N 121.425 -0.797 . . . . 0.0 111.814 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.06 -35.86 40.42 Favored 'Trans proline' 0 C--N 1.354 0.834 0 O-C-N 123.141 1.074 . . . . 0.0 110.788 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HB ' HG22 ' A' ' 52' ' ' THR . 8.0 t -68.98 -39.99 80.41 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.566 ' CD2' ' HB2' ' A' ' 154' ' ' SER . 39.1 mt -65.78 -35.64 81.28 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' CD2' HD23 ' A' ' 92' ' ' LEU . 59.7 t-80 -60.04 -48.84 80.03 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.637 -0.664 . . . . 0.0 109.329 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.912 ' HG3' HD13 ' A' ' 116' ' ' ILE . 10.8 mm-40 -70.79 -24.2 62.53 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 119.344 -0.942 . . . . 0.0 109.321 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.2 -36.77 80.07 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.678 HG21 ' O ' ' A' ' 88' ' ' LEU . 12.6 mm -75.74 -28.01 19.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 O-C-N 121.411 -0.805 . . . . 0.0 109.241 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.79 -36.78 67.67 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.256 -0.902 . . . . 0.0 108.9 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.585 HE22 HG12 ' A' ' 119' ' ' VAL . 24.4 mt-30 -74.18 -38.92 63.52 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 121.497 -0.752 . . . . 0.0 110.256 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.9 mt -72.84 -36.02 51.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 121.181 -0.95 . . . . 0.0 108.518 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.688 ' HA ' HD13 ' A' ' 88' ' ' LEU . 41.7 t80 -59.84 -42.81 94.41 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.498 -0.751 . . . . 0.0 109.798 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.653 ' O ' HG23 ' A' ' 69' ' ' THR . 20.3 t-20 -80.19 -39.36 29.37 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.468 -0.77 . . . . 0.0 110.117 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 130' ' ' LEU . 29.8 tp -58.64 -32.04 68.69 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.33 -0.857 . . . . 0.0 109.487 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.9 m-85 -93.82 -31.95 14.16 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.455 -0.778 . . . . 0.0 109.753 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 25.0 t -65.61 -25.31 67.33 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 65' ' ' ASN . 40.5 p -54.19 146.02 16.07 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.213 -0.929 . . . . 0.0 109.544 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.11 -22.27 65.68 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.469 -0.77 . . . . 0.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.449 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 52.3 m-20 -68.92 -45.71 70.14 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 22.5 t -77.95 -29.95 50.12 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.577 -0.702 . . . . 0.0 109.475 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.558 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.7 m -65.48 -36.55 84.2 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.505 -0.747 . . . . 0.0 109.388 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.49 -26.44 30.22 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.1 -32.23 72.4 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.588 -0.695 . . . . 0.0 109.967 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.48 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 73.8 m95 -118.84 178.15 4.59 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.589 -0.694 . . . . 0.0 109.529 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.84 135.9 43.44 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -66.25 -29.88 70.2 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.448 -0.782 . . . . 0.0 110.565 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -77.54 -45.56 25.03 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.164 -0.96 . . . . 0.0 108.9 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 96.6 mt -62.65 -35.89 81.08 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.9 mt -72.58 -33.67 66.9 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.41 -51.66 67.53 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.09 -35.36 80.51 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.908 ' HA ' HD13 ' A' ' 17' ' ' LEU . 45.5 t80 -62.1 -35.81 79.84 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.669 -0.645 . . . . 0.0 109.761 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.446 ' HA ' HD12 ' A' ' 88' ' ' LEU . 21.6 m-85 -72.62 -37.07 68.17 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.228 -0.92 . . . . 0.0 109.336 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.3 m -64.93 -42.6 94.52 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.568 -0.708 . . . . 0.0 109.562 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.53 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 58.3 mm-40 -68.65 -30.76 69.54 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.37 -0.831 . . . . 0.0 109.366 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' ' 64' ' ' PHE . 36.0 mt -66.89 -45.59 77.56 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.44 -0.787 . . . . 0.0 109.603 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 18.4 t80 -73.88 -31.69 63.26 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.236 -0.915 . . . . 0.0 110.323 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -66.39 -46.85 75.26 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.144 -0.972 . . . . 0.0 108.727 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.44 -30.5 71.53 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.51 ' HG ' HG21 ' A' ' 60' ' ' ILE . 11.2 mt -69.51 -33.75 73.28 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.773 -0.579 . . . . 0.0 109.86 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -69.44 -44.17 71.84 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.276 -0.89 . . . . 0.0 109.313 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.46 -42.51 87.47 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.604 -0.685 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.807 HD23 HG23 ' A' ' 53' ' ' ILE . 81.1 mt -63.05 -36.59 84.09 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.802 -0.561 . . . . 0.0 109.755 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.478 ' O ' HG12 ' A' ' 100' ' ' ILE . 86.9 tt0 -71.21 -39.17 71.91 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.496 -0.753 . . . . 0.0 109.716 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.98 -44.81 67.46 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.739 -0.6 . . . . 0.0 109.542 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.824 ' SG ' HD13 ' A' ' 53' ' ' ILE . 62.4 m -58.44 -47.76 82.92 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.63 -32.37 53.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 O-C-N 122.075 -0.391 . . . . 0.0 110.63 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 96' ' ' GLU . 42.1 mm -57.06 -53.36 44.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 O-C-N 121.17 -0.956 . . . . 0.0 108.974 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.437 ' HB2' HG22 ' A' ' 103' ' ' VAL . 15.4 mp0 -81.29 -179.41 7.35 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.641 -0.662 . . . . 0.0 109.304 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.96 -26.09 73.24 Favored Glycine 0 CA--C 1.536 1.385 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 101' ' ' GLN . 19.3 m -62.06 173.01 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 121.451 -1.029 . . . . 0.0 110.11 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.794 ' HA2' HD12 ' A' ' 53' ' ' ILE . . . 79.8 -78.09 1.82 Allowed Glycine 0 C--O 1.216 -0.992 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.417 HG12 ' HG3' ' A' ' 54' ' ' PRO . 23.3 m -92.82 173.51 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 121.66 -0.906 . . . . 0.0 109.548 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.9 p -106.95 173.5 6.3 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 121.376 -0.827 . . . . 0.0 109.603 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -58.09 -42.17 85.06 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 108' ' ' THR . 3.6 t -119.28 87.06 34.5 Favored Pre-proline 0 C--O 1.218 -0.602 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.607 ' HB2' ' HE2' ' A' ' 112' ' ' LYS . 38.0 Cg_endo -69.67 99.31 0.73 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 O-C-N 123.761 1.401 . . . . 0.0 111.8 -177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.9 mt -121.98 -46.38 2.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.537 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -60.34 -25.97 66.23 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 122.064 -0.397 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.607 ' HE2' ' HB2' ' A' ' 109' ' ' PRO . 33.7 pttt -80.98 -25.32 37.38 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.031 -1.043 . . . . 0.0 110.394 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -70.95 -51.12 27.72 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.217 -0.927 . . . . 0.0 109.971 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -63.2 -26.63 68.89 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.212 -0.93 . . . . 0.0 109.486 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.622 ' HB3' HG11 ' A' ' 55' ' ' VAL . 68.9 m -69.32 -48.27 62.01 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.912 HD13 ' HG3' ' A' ' 58' ' ' GLU . 80.2 mt -68.61 -31.89 52.89 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 O-C-N 121.56 -0.712 . . . . 0.0 109.282 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 117' ' ' LEU . 21.1 mt -68.97 -34.77 75.87 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.599 -0.688 . . . . 0.0 109.305 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.48 -44.35 78.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.585 HG12 HE22 ' A' ' 62' ' ' GLN . 45.9 t -67.44 -26.02 34.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -70.96 -43.94 67.09 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.246 -0.909 . . . . 0.0 109.661 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.63 -30.28 67.97 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.406 -0.809 . . . . 0.0 108.918 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 88.8 t80 -65.59 -51.16 61.79 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.65 -28.15 66.63 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.762 -0.587 . . . . 0.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -64.77 -40.5 95.37 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 tpt85 -66.62 -33.58 75.98 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.636 HG12 ' CD2' ' A' ' 36' ' ' PHE . 40.9 mt -67.93 -36.86 77.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 121.523 -0.736 . . . . 0.0 109.178 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.3 m -65.4 -43.64 89.98 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.459 -0.776 . . . . 0.0 109.354 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 128' ' ' LEU . 31.6 mt -72.12 -31.63 66.2 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 121.496 -0.753 . . . . 0.0 109.718 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -63.6 -43.66 96.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' A' ' 140' ' ' TRP . 36.7 mt -65.49 -44.22 87.75 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -67.57 -29.12 68.4 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.394 -0.816 . . . . 0.0 109.847 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.51 -46.24 67.01 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.482 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.562 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.3 mptt -83.83 5.04 26.57 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.708 -0.62 . . . . 0.0 109.856 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp 60.73 38.82 18.03 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.515 -0.74 . . . . 0.0 110.171 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 44.0 m-85 57.78 50.15 11.09 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.569 -0.707 . . . . 0.0 109.862 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.401 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 33.5 t -76.9 149.73 80.56 Favored Pre-proline 0 C--O 1.216 -0.703 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.502 ' O ' HD11 ' A' ' 24' ' ' ILE . 37.0 Cg_endo -64.99 -32.45 53.95 Favored 'Trans proline' 0 C--N 1.353 0.772 0 O-C-N 123.628 1.331 . . . . 0.0 110.603 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.0 m -70.99 -40.82 71.66 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.52 94.94 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.558 ' CE2' HD22 ' A' ' 130' ' ' LEU . 21.2 m95 -64.44 -34.52 78.39 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 121.684 -0.635 . . . . 0.0 109.821 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.41 -43.28 97.96 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.274 -0.891 . . . . 0.0 108.985 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.797 HG21 ' O ' ' A' ' 32' ' ' ASP . 51.0 t -62.59 -42.15 94.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 121.788 -0.57 . . . . 0.0 109.551 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 147' ' ' ILE . 60.4 t -73.55 -25.31 20.81 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.939 0 O-C-N 121.584 -0.698 . . . . 0.0 110.313 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.652 ' HG3' ' N ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -68.97 -49.38 58.44 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.024 -1.047 . . . . 0.0 108.416 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.652 ' N ' ' HG3' ' A' ' 144' ' ' ARG . . . -63.22 -37.24 86.44 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 142' ' ' VAL . 48.7 mt-10 -68.98 -31.71 70.76 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.802 -0.561 . . . . 0.0 110.094 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.1 mm -76.39 -30.79 19.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 121.308 -0.87 . . . . 0.0 109.289 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 32.8 ttm -73.89 -36.72 64.81 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -73.22 -42.54 62.49 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 121.554 -0.716 . . . . 0.0 109.322 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 73.7 m -66.2 -35.74 81.23 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.607 -0.683 . . . . 0.0 109.545 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.878 ' HB3' HD21 ' A' ' 15' ' ' LEU . 20.6 t80 -72.69 -42.72 63.92 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.45 -0.781 . . . . 0.0 109.39 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 76.0 p -64.96 -33.35 75.83 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.655 HD22 ' CD ' ' A' ' 40' ' ' GLN . 70.5 mt -69.12 -42.5 75.99 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.668 -0.645 . . . . 0.0 109.496 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.566 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 16.8 p -64.67 -35.18 80.2 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.699 -0.626 . . . . 0.0 110.023 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.702 HG21 ' CE1' ' A' ' 151' ' ' PHE . 25.4 p -100.34 1.42 41.52 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.759 -0.588 . . . . 0.0 110.909 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 152' ' ' SER . 13.9 t-20 -66.12 -15.12 62.83 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.101 -0.999 . . . . 0.0 109.722 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.656 HD21 ' O ' ' A' ' 43' ' ' PHE . 3.8 mm? -61.76 -24.36 66.78 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.237 -0.914 . . . . 0.0 109.826 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.475 ' HG2' ' HG3' ' A' ' 159' ' ' GLU . 40.4 tt0 -47.94 -59.67 3.17 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.573 -0.704 . . . . 0.0 109.918 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.475 ' HG3' ' HG2' ' A' ' 158' ' ' GLN . 49.0 mt-10 -151.35 115.87 5.12 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.8 t -141.11 77.76 1.61 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.349 0.595 . . . . 0.0 109.688 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 161' ' ' LEU . 7.3 mp -87.14 -17.65 32.27 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.355 -0.84 . . . . 0.0 109.866 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -114.22 64.73 0.66 Allowed 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.283 -0.885 . . . . 0.0 108.731 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.7 t -89.81 126.4 35.67 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.432 -0.792 . . . . 0.0 109.456 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -109.04 56.96 0.61 Allowed 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.472 -0.768 . . . . 0.0 109.04 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.361 -179.665 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.513 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 5.0 p . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.265 0.555 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.608 ' C ' HD23 ' A' ' 3' ' ' LEU . 44.6 p-10 -102.29 65.21 0.94 Allowed 'General case' 0 C--O 1.219 -0.55 0 O-C-N 121.462 -0.774 . . . . 0.0 110.136 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.781 HD21 HG21 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -126.75 -64.52 0.02 OUTLIER Pre-proline 0 C--O 1.216 -0.686 0 O-C-N 121.418 -0.801 . . . . 0.0 109.346 178.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.644 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.8 Cg_endo -72.1 102.78 1.39 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 O-C-N 123.481 1.253 . . . . 0.0 110.459 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -113.16 68.22 0.67 Allowed 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.4 p -144.9 -63.78 0.35 Allowed 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.41 -0.806 . . . . 0.0 109.585 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.22 162.18 29.52 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.368 -0.833 . . . . 0.0 109.359 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t -138.32 22.01 2.76 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.468 -0.77 . . . . 0.0 109.806 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -103.0 77.22 1.54 Allowed 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.436 -0.79 . . . . 0.0 109.392 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.37 -52.91 0.58 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.524 ' HB2' HG21 ' A' ' 155' ' ' THR . 72.6 p -67.77 -32.32 72.83 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.635 -0.92 . . . . 0.0 110.021 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -65.91 -38.63 89.19 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -71.54 -37.89 71.09 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.343 -0.848 . . . . 0.0 109.476 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -61.76 -46.07 91.19 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.447 -0.783 . . . . 0.0 109.276 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 151' ' ' PHE . 85.2 mt -70.4 -31.97 69.4 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.615 -0.678 . . . . 0.0 109.654 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.6 ttp -63.87 -37.3 86.88 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.254 -0.903 . . . . 0.0 108.652 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.856 HD13 ' HA ' ' A' ' 84' ' ' PHE . 94.7 mt -63.63 -43.37 96.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 15' ' ' LEU . 54.5 mt -58.15 -40.37 81.18 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.83 -0.544 . . . . 0.0 109.576 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.76 96.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.668 -0.645 . . . . 0.0 109.793 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -67.47 -30.17 69.8 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.428 ' SD ' ' HA ' ' A' ' 18' ' ' LEU . 26.5 mtp -68.23 -28.04 66.89 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.462 -0.774 . . . . 0.0 110.462 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB2' ' NH1' ' A' ' 144' ' ' ARG . 37.5 ttm180 -56.27 115.28 2.38 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.356 -0.84 . . . . 0.0 109.668 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -100.9 -35.98 9.21 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.373 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.725 HD12 ' SG ' ' A' ' 29' ' ' CYS . 6.4 pt -104.5 170.39 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.461 -0.775 . . . . 0.0 109.867 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -89.96 134.38 34.26 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 30' ' ' LEU . 58.9 tp -58.74 -40.07 82.78 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.784 ' HA ' HD13 ' A' ' 30' ' ' LEU . 93.6 m-85 -58.67 -41.73 86.81 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -57.94 -31.95 67.33 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' A' ' 24' ' ' ILE . 80.1 m -101.34 50.68 0.85 Allowed 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.784 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -89.88 0.18 57.2 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.141 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -93.32 -25.18 17.85 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 109.09 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.689 ' O ' HG21 ' A' ' 142' ' ' VAL . 12.1 t70 -104.49 18.39 22.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.53 -0.731 . . . . 0.0 109.57 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -73.33 119.24 17.29 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.165 -0.959 . . . . 0.0 109.513 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -149.13 129.6 13.9 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.69 145.01 36.87 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.207 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.516 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 24.2 m-85 -94.97 -39.9 9.95 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.442 -0.786 . . . . 0.0 109.843 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.46 60.01 0.46 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.5 t80 -66.07 132.57 94.61 Favored Pre-proline 0 C--O 1.217 -0.641 0 O-C-N 121.637 -0.92 . . . . 0.0 109.053 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.61 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 51.3 Cg_endo -78.64 62.58 8.33 Favored 'Trans proline' 0 C--N 1.352 0.741 0 O-C-N 123.829 1.437 . . . . 0.0 111.376 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 4.2 tp60 -75.33 -26.8 58.91 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.14 -31.97 63.82 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -97.78 44.96 1.03 Allowed 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 1.7 m-85 -147.39 23.62 1.15 Allowed 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.535 -0.728 . . . . 0.0 109.352 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.99 -91.43 2.21 Favored Glycine 0 C--O 1.217 -0.949 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 13.5 p-10 -69.96 137.27 51.33 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.825 -0.809 . . . . 0.0 109.331 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 89.8 mm-40 73.36 18.55 3.67 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.956 -0.465 . . . . 0.0 109.766 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.959 ' CD2' HG21 ' A' ' 52' ' ' THR . 30.8 m-85 -132.7 42.08 3.12 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -71.62 -164.89 0.13 Allowed 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.306 -0.871 . . . . 0.0 109.552 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' O ' HD11 ' A' ' 53' ' ' ILE . 64.0 pttt -85.85 17.34 3.48 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.187 -0.946 . . . . 0.0 110.336 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' A' ' 53' ' ' ILE . . . -150.95 31.54 0.62 Allowed 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.1 -1.0 . . . . 0.0 109.495 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -134.37 -58.17 0.84 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.362 -0.836 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.959 HG21 ' CD2' ' A' ' 47' ' ' PHE . 25.5 p -103.47 38.83 1.71 Allowed 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.938 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.71 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 84.9 mt -64.19 -37.58 27.26 Favored Pre-proline 0 C--O 1.216 -0.702 0 O-C-N 121.488 -0.757 . . . . 0.0 109.819 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.71 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -64.85 -25.11 60.48 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.049 1.026 . . . . 0.0 110.178 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.773 ' HA ' HG12 ' A' ' 116' ' ' ILE . 13.5 t -71.07 -38.67 72.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 37.7 mt -68.93 -33.87 74.43 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.508 ' CE1' HD22 ' A' ' 92' ' ' LEU . 64.3 t-80 -65.35 -48.01 74.47 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.837 ' HG3' HD13 ' A' ' 116' ' ' ILE . 74.4 mm-40 -72.74 -27.18 61.88 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 ttt -66.53 -48.45 69.69 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.746 HG23 HD22 ' A' ' 88' ' ' LEU . 30.6 mt -69.18 -21.85 25.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -73.76 -35.67 65.02 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.73 -35.79 70.28 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.59 -0.693 . . . . 0.0 109.162 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.605 HG23 ' CE1' ' A' ' 67' ' ' PHE . 75.5 mt -74.88 -29.68 22.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.532 ' HA ' HD13 ' A' ' 88' ' ' LEU . 37.1 t80 -63.58 -46.72 84.58 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.333 -0.855 . . . . 0.0 109.431 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 69' ' ' THR . 19.8 t-20 -78.3 -37.94 43.6 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.564 -0.71 . . . . 0.0 109.627 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 130' ' ' LEU . 36.8 tp -57.56 -33.42 68.12 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.444 -0.785 . . . . 0.0 109.399 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 63' ' ' ILE . 17.4 m-85 -95.3 -24.73 16.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.667 -0.646 . . . . 0.0 110.015 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.0 t -79.08 -14.76 58.95 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.336 -0.852 . . . . 0.0 110.381 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 65' ' ' ASN . 22.6 p -55.6 151.76 10.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.18 -0.95 . . . . 0.0 110.044 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -62.25 -22.23 65.82 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.588 -0.695 . . . . 0.0 109.751 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 43.7 m-20 -78.61 -40.91 33.09 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.357 -0.84 . . . . 0.0 109.688 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.503 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 21.9 t -79.46 -32.83 42.69 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 110.141 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.463 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 72.3 m -62.63 -35.93 81.18 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.52 -0.738 . . . . 0.0 109.124 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.38 -26.31 30.57 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -67.24 -31.57 72.01 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.544 -0.723 . . . . 0.0 110.333 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -120.16 175.08 6.11 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.479 -0.763 . . . . 0.0 109.631 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.73 133.82 46.92 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.9 -28.27 69.42 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.415 -0.803 . . . . 0.0 110.418 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.7 m -78.18 -44.81 24.82 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.18 -0.95 . . . . 0.0 108.84 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.0 -37.58 87.74 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 81' ' ' LEU . 10.1 mt -71.96 -33.03 67.85 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.2 -50.89 69.96 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -63.87 -35.04 79.35 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.856 ' HA ' HD13 ' A' ' 17' ' ' LEU . 21.2 t80 -64.98 -32.06 73.6 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.805 -0.559 . . . . 0.0 109.877 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -73.56 -38.59 65.16 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.062 -1.024 . . . . 0.0 109.207 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.682 HG22 HE21 ' A' ' 90' ' ' GLN . 34.4 m -69.23 -36.47 77.25 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 109.682 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -73.2 -36.07 66.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.302 -0.873 . . . . 0.0 109.157 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.836 HD11 ' CE2' ' A' ' 84' ' ' PHE . 64.3 mt -66.7 -40.37 88.45 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.488 -0.758 . . . . 0.0 109.257 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -72.68 -38.63 67.53 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.472 -0.768 . . . . 0.0 110.426 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.682 HE21 HG22 ' A' ' 86' ' ' THR . 53.2 mt-30 -66.92 -48.25 69.24 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.11 -0.994 . . . . 0.0 109.8 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.48 -26.67 68.54 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.508 HD22 ' CE1' ' A' ' 57' ' ' HIS . 14.2 mt -66.92 -50.68 61.61 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.533 -0.73 . . . . 0.0 109.223 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.34 -38.35 73.97 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.642 -0.662 . . . . 0.0 109.582 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.99 -45.73 84.38 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 56' ' ' LEU . 69.2 mt -62.71 -26.46 68.69 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.144 0.497 . . . . 0.0 109.712 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' O ' HG13 ' A' ' 100' ' ' ILE . 86.1 tt0 -81.32 -33.02 32.81 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 121.503 -0.748 . . . . 0.0 110.012 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.82 -46.64 67.82 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.427 -0.795 . . . . 0.0 109.654 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.593 ' SG ' HD13 ' A' ' 53' ' ' ILE . 72.8 m -59.12 -47.31 85.73 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.586 HG13 HG11 ' A' ' 105' ' ' VAL . 72.8 t -60.3 -42.7 91.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 121.65 -0.657 . . . . 0.0 110.338 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 96' ' ' GLU . 86.9 mt -57.86 -53.03 50.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 O-C-N 121.379 -0.826 . . . . 0.0 109.261 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -76.19 171.15 14.99 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.02 -39.07 96.15 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.781 HG21 HD21 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -58.4 105.1 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 O-C-N 121.724 -0.868 . . . . 0.0 110.012 179.536 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 134.47 -90.93 0.24 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.586 HG11 HG13 ' A' ' 99' ' ' VAL . 35.4 m -86.36 150.56 3.83 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 O-C-N 121.589 -0.947 . . . . 0.0 109.524 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 108' ' ' THR . 12.7 t -168.06 -154.19 0.14 Allowed 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.454 -0.779 . . . . 0.0 109.486 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 108' ' ' THR . 97.6 mt-10 -51.61 -20.21 1.89 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.675 -0.641 . . . . 0.0 111.397 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.505 ' H ' HG23 ' A' ' 106' ' ' THR . 58.5 m -19.01 127.25 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 123.11 0.564 . . . . 0.0 112.122 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.462 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 37.7 Cg_endo -65.06 174.31 4.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 O-C-N 124.047 1.551 . . . . 0.0 111.483 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.4 mt -44.86 -20.2 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.859 0 O-C-N 122.102 -0.374 . . . . 0.0 111.916 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.462 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 18.9 ptm -49.81 -29.35 7.74 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.155 -0.966 . . . . 0.0 109.987 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.568 ' HE3' ' HG3' ' A' ' 54' ' ' PRO . 80.7 tttt -55.0 -42.09 72.06 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.617 -0.677 . . . . 0.0 109.608 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -85.81 -31.68 22.18 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 121.416 -0.803 . . . . 0.0 109.604 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 111' ' ' MET . 55.1 m-20 -61.43 -34.74 75.9 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.266 -0.896 . . . . 0.0 109.608 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 p -65.8 -46.9 76.94 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.341 -0.849 . . . . 0.0 108.878 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.837 HD13 ' HG3' ' A' ' 58' ' ' GLU . 80.0 mt -64.51 -31.58 54.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.941 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 117' ' ' LEU . 22.6 mt -69.39 -30.39 68.36 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.697 -0.627 . . . . 0.0 109.424 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.85 -48.92 67.33 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.27 -28.28 43.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -67.37 -43.23 81.91 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.291 -0.881 . . . . 0.0 109.85 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -29.24 65.48 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.388 -0.82 . . . . 0.0 109.179 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.785 ' CE2' HD11 ' A' ' 126' ' ' ILE . 72.7 t80 -65.96 -50.98 62.41 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 121.567 -0.708 . . . . 0.0 109.225 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -69.06 -27.37 65.58 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.783 -0.573 . . . . 0.0 110.171 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -63.74 -42.55 97.85 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.428 ' C ' ' HD3' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -66.04 -41.79 90.4 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 122' ' ' TYR . 66.1 mt -57.59 -38.5 64.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.544 HG22 ' HE2' ' A' ' 131' ' ' LYS . 40.1 m -64.68 -42.0 95.67 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.54 -0.725 . . . . 0.0 109.552 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -65.53 -37.99 88.35 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.54 -0.725 . . . . 0.0 109.353 179.794 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.425 ' CG ' ' HE1' ' A' ' 36' ' ' PHE . 39.2 t80 -61.3 -39.04 88.99 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.544 -0.722 . . . . 0.0 109.347 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 66' ' ' LEU . 44.1 mt -66.03 -41.0 91.51 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.719 -0.613 . . . . 0.0 109.377 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.544 ' HE2' HG22 ' A' ' 127' ' ' THR . 61.7 mttm -70.69 -27.35 63.94 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.22 -0.925 . . . . 0.0 109.825 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.45 ' HG3' HD13 ' A' ' 128' ' ' LEU . 38.4 mt-10 -70.78 -48.69 52.95 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.366 -0.834 . . . . 0.0 109.599 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.7 mptt -82.05 3.73 25.67 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.656 -0.652 . . . . 0.0 109.711 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 82.4 mttt 61.75 35.78 16.63 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.386 -0.821 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 69.8 m-85 59.61 49.36 8.47 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.539 -0.726 . . . . 0.0 109.685 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.536 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.8 m -76.75 163.97 62.31 Favored Pre-proline 0 C--O 1.218 -0.602 0 O-C-N 121.476 -0.765 . . . . 0.0 109.286 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.2 Cg_endo -68.16 -40.03 9.44 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 O-C-N 123.78 1.411 . . . . 0.0 111.07 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -70.3 -35.41 73.67 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.489 -0.757 . . . . 0.0 109.384 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.26 -38.1 89.86 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.539 -0.726 . . . . 0.0 109.074 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 36.9 m95 -73.8 -33.32 64.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 121.448 -0.783 . . . . 0.0 109.702 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.421 ' HB2' HD11 ' A' ' 24' ' ' ILE . 34.8 tp10 -63.31 -41.32 98.92 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.7 t -65.3 -45.18 94.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.4 t -65.3 -24.18 34.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.459 ' NH1' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -65.11 -52.56 54.68 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.499 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.24 -32.24 73.75 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.773 -0.579 . . . . 0.0 109.807 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -69.55 -36.14 76.06 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 121.591 -0.693 . . . . 0.0 109.906 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 143' ' ' VAL . 30.5 mm -76.79 -34.99 23.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 121.186 -0.947 . . . . 0.0 109.484 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 29.4 ttm -66.98 -47.19 72.32 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.38 -0.825 . . . . 0.0 109.601 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 3.5 mmt180 -72.35 -40.25 67.51 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.702 -0.624 . . . . 0.0 110.575 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.423 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 74.9 m -66.58 -43.9 83.68 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.705 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.838 ' HB3' HD21 ' A' ' 15' ' ' LEU . 29.8 t80 -67.14 -36.18 81.31 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.581 -0.699 . . . . 0.0 109.371 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -71.41 -30.23 65.83 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.513 -0.742 . . . . 0.0 109.28 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 149' ' ' ARG . 48.4 mt -69.38 -46.12 67.67 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.577 -0.702 . . . . 0.0 109.331 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.563 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 18.8 m -66.71 -42.49 86.29 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.762 -0.586 . . . . 0.0 109.681 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.524 HG21 ' HB2' ' A' ' 11' ' ' SER . 81.9 p -79.24 -8.94 59.42 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.573 -0.704 . . . . 0.0 110.746 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -61.84 -22.26 65.35 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.064 -1.023 . . . . 0.0 109.375 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.585 HD22 ' N ' ' A' ' 157' ' ' LEU . 3.4 mm? -78.0 -10.5 59.63 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.401 -0.812 . . . . 0.0 110.025 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.81 -42.6 97.65 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 120.975 -1.078 . . . . 0.0 108.91 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 160' ' ' SER . 7.1 mm-40 -98.19 -2.31 40.11 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.503 -0.748 . . . . 0.0 110.427 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.545 ' C ' ' O ' ' A' ' 159' ' ' GLU . 22.5 m 3.17 83.74 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.634 0.774 . . . . 0.0 112.104 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 161' ' ' LEU . 6.5 mp -76.65 67.98 2.85 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -85.65 -32.52 21.95 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.499 -0.751 . . . . 0.0 109.487 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 36.1 t -73.93 147.81 42.77 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.419 -0.801 . . . . 0.0 109.361 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -146.76 71.61 1.24 Allowed 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.576 -0.703 . . . . 0.0 109.346 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.889 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.551 ' CB ' HG21 ' A' ' 103' ' ' VAL . 7.8 t . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.597 0.713 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -100.63 71.5 1.5 Allowed 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.5 mm? -68.61 -55.22 11.96 Favored Pre-proline 0 C--O 1.216 -0.681 0 O-C-N 121.367 -0.833 . . . . 0.0 109.164 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.491 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 47.7 Cg_endo -74.17 105.8 2.1 Favored 'Trans proline' 0 C--N 1.356 0.932 0 O-C-N 123.441 1.232 . . . . 0.0 109.989 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -94.55 83.76 4.18 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.441 -0.787 . . . . 0.0 108.995 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -117.86 -75.1 0.58 Allowed 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.57 -0.706 . . . . 0.0 109.55 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -107.39 174.08 6.04 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.33 -0.856 . . . . 0.0 109.687 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.468 ' C ' HD12 ' A' ' 9' ' ' LEU . 50.3 m -143.1 100.58 3.66 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 9' ' ' LEU . 6.9 mp -111.48 -27.71 8.49 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 121.609 -0.682 . . . . 0.0 110.175 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.35 -38.65 3.9 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.3 p -95.8 -31.98 12.91 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.19 -1.182 . . . . 0.0 110.255 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -68.37 -46.51 69.87 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.286 -0.884 . . . . 0.0 110.566 -178.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.648 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 13.5 ptm180 -74.79 -28.16 60.61 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 m -73.0 -41.5 64.22 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 120.915 -1.116 . . . . 0.0 109.253 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.792 HD21 ' HB3' ' A' ' 151' ' ' PHE . 56.3 mt -70.59 -40.06 73.49 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.528 -0.732 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.566 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -63.58 -31.5 72.68 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.003 -1.061 . . . . 0.0 109.066 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 84' ' ' PHE . 53.9 mt -63.39 -45.15 92.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD21 ' CZ ' ' A' ' 84' ' ' PHE . 63.3 mt -58.99 -30.1 67.71 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.796 -0.565 . . . . 0.0 109.695 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.42 52.58 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.097 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -70.7 -31.97 69.03 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.291 -0.881 . . . . 0.0 110.526 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.637 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 ptp -72.34 -7.79 51.48 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.189 -0.944 . . . . 0.0 110.821 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -59.88 117.0 4.51 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 120.813 -1.179 . . . . 0.0 110.152 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.637 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.9 mptp? -91.27 -37.21 13.44 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.511 -0.743 . . . . 0.0 109.058 178.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.858 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.0 pt -125.81 171.02 15.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 CA-C-O 121.464 0.65 . . . . 0.0 109.708 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -91.21 151.61 20.87 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.88 -27.84 69.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 109.102 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.404 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 76.5 m-85 -67.93 -36.9 80.94 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.42 -0.8 . . . . 0.0 109.363 178.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -64.62 -23.27 67.21 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.238 -0.914 . . . . 0.0 108.577 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.858 ' SG ' HD12 ' A' ' 24' ' ' ILE . 87.1 m -117.26 55.36 0.85 Allowed 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.672 -0.642 . . . . 0.0 110.282 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' A' ' 33' ' ' ARG . 35.3 mt -86.98 4.18 42.8 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.07 -1.019 . . . . 0.0 109.952 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -95.94 -23.71 16.73 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.884 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.702 ' O ' HG21 ' A' ' 142' ' ' VAL . 58.3 m-20 -115.23 28.12 8.91 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.328 -0.858 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.789 ' HD2' HD23 ' A' ' 30' ' ' LEU . 16.3 ptm180 -105.12 123.5 47.93 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.803 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -149.08 145.59 27.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.27 115.14 5.28 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 37.9 m-85 -69.56 -49.71 51.71 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.561 -0.712 . . . . 0.0 109.519 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.1 53.71 0.22 Allowed Glycine 0 C--O 1.217 -0.917 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 86.2 t80 -69.18 127.04 93.14 Favored Pre-proline 0 C--O 1.217 -0.648 0 O-C-N 121.492 -1.005 . . . . 0.0 108.929 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.596 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.2 Cg_endo -81.54 67.41 8.41 Favored 'Trans proline' 0 C--N 1.351 0.666 0 O-C-N 123.823 1.433 . . . . 0.0 111.531 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 153' ' ' LEU . 42.1 tp60 -73.56 -18.05 61.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.239 -0.913 . . . . 0.0 109.371 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.98 -30.88 68.28 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.261 -0.9 . . . . 0.0 109.259 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -98.97 35.91 1.79 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.404 -0.81 . . . . 0.0 109.003 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.692 ' O ' HD21 ' A' ' 157' ' ' LEU . 7.0 m-85 -140.23 27.94 2.1 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.401 -0.812 . . . . 0.0 109.01 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.414 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -122.77 -94.63 1.2 Allowed Glycine 0 C--O 1.217 -0.926 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 7.1 m120 -62.57 134.45 56.39 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.768 -0.843 . . . . 0.0 109.557 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 22.5 mt-30 70.17 30.87 3.36 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.85 -0.531 . . . . 0.0 110.134 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.582 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 75.4 m-85 -143.92 33.71 1.25 Allowed 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.273 -0.892 . . . . 0.0 109.682 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -136.17 165.5 25.59 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.321 -0.862 . . . . 0.0 109.563 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 59.45 55.33 4.21 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.505 -0.747 . . . . 0.0 109.433 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.589 ' HB1' ' HA2' ' A' ' 104' ' ' GLY . . . 60.93 72.26 0.53 Allowed 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.607 -0.683 . . . . 0.0 109.799 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -142.92 -48.05 0.32 Allowed 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.354 -0.841 . . . . 0.0 109.626 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.582 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 10.2 t -89.06 15.14 9.16 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.621 -0.674 . . . . 0.0 109.787 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.896 HG23 HD23 ' A' ' 95' ' ' LEU . 62.6 mt -57.21 -43.86 99.41 Favored Pre-proline 0 C--O 1.214 -0.798 0 O-C-N 121.285 -0.884 . . . . 0.0 110.84 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.6 Cg_endo -64.44 -32.85 59.46 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 123.112 1.059 . . . . 0.0 110.641 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.575 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.6 t -73.7 -38.56 51.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.608 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 71.8 mt -68.42 -25.43 65.02 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.568 -0.707 . . . . 0.0 109.109 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' O ' HD21 ' A' ' 92' ' ' LEU . 59.4 t-80 -71.35 -50.79 28.69 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.328 -0.857 . . . . 0.0 109.407 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.654 ' HB3' HG23 ' A' ' 116' ' ' ILE . 15.8 tp10 -73.14 -27.91 61.94 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.119 -0.988 . . . . 0.0 109.881 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.404 ' HG3' HG11 ' A' ' 119' ' ' VAL . 18.1 ttt -70.69 -47.16 61.3 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.152 -0.968 . . . . 0.0 109.424 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.515 HG23 ' CD2' ' A' ' 88' ' ' LEU . 9.5 mt -70.34 -24.14 25.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 O-C-N 121.429 -0.794 . . . . 0.0 109.019 178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -70.67 -40.11 73.16 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.35 -37.93 86.47 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.616 -0.677 . . . . 0.0 109.295 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.472 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.1 mt -70.86 -28.76 34.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.642 ' HA ' HD13 ' A' ' 88' ' ' LEU . 18.9 t80 -64.03 -51.92 61.9 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.375 -0.828 . . . . 0.0 109.555 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 69' ' ' THR . 2.4 t-20 -74.53 -32.37 62.45 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.781 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 130' ' ' LEU . 38.6 tp -63.4 -31.76 73.01 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.315 -0.866 . . . . 0.0 109.288 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 63' ' ' ILE . 23.0 m-85 -100.6 -11.59 19.93 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.581 -0.7 . . . . 0.0 110.101 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 9.6 t -91.78 -13.68 31.11 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.194 -0.941 . . . . 0.0 109.743 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 65' ' ' ASN . 5.1 p -57.16 151.63 15.13 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.295 -0.878 . . . . 0.0 110.005 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.99 -24.83 67.87 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.585 -0.697 . . . . 0.0 109.679 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 45.6 m-20 -75.99 -38.75 57.05 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.44 -0.788 . . . . 0.0 109.289 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.508 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 88.3 p -78.06 -32.97 51.1 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.668 -0.645 . . . . 0.0 109.947 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.2 t -65.77 -34.01 77.19 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 121.557 -0.714 . . . . 0.0 109.443 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.27 -25.64 31.42 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.95 -35.91 77.32 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.518 -0.739 . . . . 0.0 110.141 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.449 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 65.8 m95 -116.75 170.41 8.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.689 -0.632 . . . . 0.0 109.813 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.41 134.13 52.81 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.53 -28.64 69.32 Favored 'General case' 0 C--O 1.212 -0.91 0 O-C-N 121.543 -0.723 . . . . 0.0 110.193 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -78.71 -44.58 23.19 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.136 -0.977 . . . . 0.0 108.937 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.19 -35.29 78.41 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 81' ' ' LEU . 10.7 mt -75.24 -32.51 61.13 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.414 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 39.1 m-20 -55.92 -49.85 72.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -64.42 -39.7 94.34 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 88' ' ' LEU . 16.9 t80 -61.95 -26.46 68.21 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 121.739 -0.601 . . . . 0.0 109.875 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.9 m-85 -76.12 -41.02 51.44 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.096 -1.002 . . . . 0.0 109.083 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.0 m -69.37 -32.9 72.25 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.642 -0.661 . . . . 0.0 109.614 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.648 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -74.64 -35.3 62.87 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.285 -0.885 . . . . 0.0 109.643 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.771 HD11 ' CE2' ' A' ' 84' ' ' PHE . 74.8 mt -71.22 -41.27 70.43 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.496 -0.753 . . . . 0.0 109.599 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.5 t80 -77.34 -27.11 52.65 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.557 -0.714 . . . . 0.0 110.171 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.94 -49.91 47.15 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.168 -0.957 . . . . 0.0 108.681 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.451 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 62.2 tp60 -67.2 -31.95 72.67 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 12.2 mt -66.64 -35.01 79.15 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.498 -0.752 . . . . 0.0 109.693 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -69.42 -42.36 75.13 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.394 -0.816 . . . . 0.0 109.459 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -35.11 74.06 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.492 -0.755 . . . . 0.0 109.582 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.896 HD23 HG23 ' A' ' 53' ' ' ILE . 69.3 mt -65.59 -39.68 91.86 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.615 -0.678 . . . . 0.0 109.68 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -73.22 -39.05 65.84 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.502 -0.749 . . . . 0.0 109.287 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.78 -40.12 79.07 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.727 ' HB2' HG21 ' A' ' 53' ' ' ILE . 91.1 m -61.24 -46.79 88.95 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.3 -43.12 97.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 O-C-N 121.839 -0.538 . . . . 0.0 110.252 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.0 -52.91 47.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 121.354 -0.841 . . . . 0.0 109.61 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.461 ' HB2' HG22 ' A' ' 103' ' ' VAL . 81.1 mm-40 -74.78 172.38 12.27 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.621 -0.674 . . . . 0.0 109.887 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.55 -32.89 71.43 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.551 HG21 ' CB ' ' A' ' 1' ' ' CYS . 15.0 m -52.0 111.9 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 O-C-N 121.673 -0.898 . . . . 0.0 109.971 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.589 ' HA2' ' HB1' ' A' ' 50' ' ' ALA . . . 148.29 -143.78 11.5 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 106' ' ' THR . 8.2 p -133.88 138.15 51.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 O-C-N 121.382 -1.069 . . . . 0.0 109.642 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 105' ' ' VAL . 0.5 OUTLIER -174.44 130.8 0.36 Allowed 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.478 0.656 . . . . 0.0 109.524 179.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -160.51 -72.18 0.07 Allowed 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.596 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 7.4 t 179.42 54.6 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.596 ' HD3' ' N ' ' A' ' 108' ' ' THR . 50.5 Cg_endo -94.6 132.44 0.64 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 O-C-N 123.191 1.101 . . . . 0.0 111.455 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.0 tp -74.31 -18.08 60.75 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.4 ptm -80.6 1.77 28.43 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.595 -0.691 . . . . 0.0 110.568 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -55.94 -34.33 65.54 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.047 -1.033 . . . . 0.0 109.42 179.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' HB2' ' HE2' ' A' ' 112' ' ' LYS . 11.5 tp10 -102.61 -20.88 14.27 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 121.519 -0.738 . . . . 0.0 109.503 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -59.41 -41.86 90.45 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 121.228 -0.92 . . . . 0.0 109.788 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.476 ' OG ' HG22 ' A' ' 55' ' ' VAL . 21.6 p -63.14 -50.67 69.51 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.38 -0.825 . . . . 0.0 109.514 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.654 HG23 ' HB3' ' A' ' 58' ' ' GLU . 80.3 mt -66.5 -35.8 75.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 O-C-N 121.7 -0.625 . . . . 0.0 109.449 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 117' ' ' LEU . 6.7 tt -63.9 -35.51 80.89 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.596 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -63.92 -49.55 72.21 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 59' ' ' MET . 67.9 t -63.35 -28.62 45.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.422 ' O ' ' HD2' ' A' ' 120' ' ' ARG . 5.2 tmm_? -64.76 -48.14 75.65 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.272 -0.893 . . . . 0.0 109.121 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 121' ' ' LYS . 12.7 tmtt? -63.51 -35.76 81.53 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.538 -0.726 . . . . 0.0 109.321 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.654 ' CE2' HD11 ' A' ' 126' ' ' ILE . 67.2 t80 -61.03 -53.37 57.97 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.607 -0.683 . . . . 0.0 109.576 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -70.44 -22.32 62.71 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.673 -0.642 . . . . 0.0 110.404 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.77 -40.67 88.3 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.08 -36.2 77.35 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.654 HD11 ' CE2' ' A' ' 122' ' ' TYR . 59.4 mt -65.67 -36.45 77.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.8 m -68.56 -42.06 78.86 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.337 -0.852 . . . . 0.0 109.393 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.5 tt -69.43 -33.82 73.54 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.432 -0.793 . . . . 0.0 109.272 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.451 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 11.4 t80 -62.95 -38.47 91.21 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 109.196 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 66' ' ' LEU . 50.0 mt -68.26 -42.87 78.98 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -69.26 -23.44 63.85 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.304 -0.873 . . . . 0.0 109.871 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.34 -48.94 25.02 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.342 -0.849 . . . . 0.0 109.187 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' HB3' ' HB3' ' A' ' 136' ' ' SER . 14.6 mptt -83.43 3.89 30.0 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.701 -0.624 . . . . 0.0 109.709 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 59.04 43.6 17.37 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.499 -0.751 . . . . 0.0 109.659 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.6 m-85 58.22 49.38 11.31 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.619 0.723 . . . . 0.0 109.499 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.473 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.6 t -75.81 151.54 84.54 Favored Pre-proline 0 C--O 1.217 -0.654 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.473 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.7 Cg_endo -63.53 -29.32 70.61 Favored 'Trans proline' 0 C--N 1.351 0.71 0 O-C-N 123.693 1.365 . . . . 0.0 110.913 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.31 -39.07 49.19 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.406 -0.809 . . . . 0.0 108.882 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.55 -38.72 92.19 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.508 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 23.0 m95 -70.23 -34.22 72.6 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.546 -0.721 . . . . 0.0 109.536 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -64.45 -43.59 93.77 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.44 -0.788 . . . . 0.0 109.205 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.702 HG21 ' O ' ' A' ' 32' ' ' ASP . 75.8 t -66.76 -41.54 88.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 139' ' ' ALA . 88.5 t -68.0 -24.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.668 -0.645 . . . . 0.0 109.262 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.449 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 35.8 ttp85 -69.04 -48.68 62.28 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.246 -0.909 . . . . 0.0 108.746 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.51 -30.21 68.98 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.418 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 41.3 mm-40 -73.63 -33.81 64.71 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.553 -0.717 . . . . 0.0 109.878 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.7 mm -77.61 -33.47 19.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.2 ttm -72.52 -38.66 68.0 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -70.58 -46.69 62.99 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 121.62 -0.675 . . . . 0.0 109.264 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 80.6 p -62.0 -41.37 97.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.837 -0.539 . . . . 0.0 109.737 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.792 ' HB3' HD21 ' A' ' 15' ' ' LEU . 31.4 t80 -66.29 -41.92 89.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.461 -0.774 . . . . 0.0 109.404 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 156' ' ' ASN . 69.3 m -65.94 -34.55 78.37 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.474 -0.766 . . . . 0.0 109.45 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.433 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . 52.5 mt -68.01 -38.76 82.97 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.608 -0.683 . . . . 0.0 109.383 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.608 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.1 m -74.17 -27.26 60.74 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.216 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.64 HG21 ' CE1' ' A' ' 151' ' ' PHE . 74.8 p -101.02 0.66 38.48 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.354 -0.841 . . . . 0.0 110.777 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 159' ' ' GLU . 0.0 OUTLIER -74.93 -3.53 32.71 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 120.87 -1.144 . . . . 0.0 109.709 178.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.692 HD21 ' O ' ' A' ' 43' ' ' PHE . 4.3 mm? -60.35 -38.66 84.54 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.038 -1.039 . . . . 0.0 109.136 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -106.82 -27.81 10.51 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.542 -0.724 . . . . 0.0 109.591 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 156' ' ' ASN . 52.8 tp10 -75.49 -20.88 58.48 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.309 -0.87 . . . . 0.0 110.323 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 10.5 t -101.39 40.68 1.27 Allowed 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.433 -0.792 . . . . 0.0 109.529 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 161' ' ' LEU . 8.0 tt -63.68 -44.31 94.1 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -149.47 -51.76 0.15 Allowed 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 39.2 t -93.36 114.04 26.37 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.427 -0.796 . . . . 0.0 108.982 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.55 38.7 1.74 Allowed 'General case' 0 C--O 1.22 -0.488 0 O-C-N 121.538 -0.726 . . . . 0.0 109.542 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.222 -0.362 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.287 179.932 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.877 ' HB2' HG21 ' A' ' 103' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.776 0.798 . . . . 0.0 109.784 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -145.89 101.1 3.5 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -67.59 -56.08 13.03 Favored Pre-proline 0 C--O 1.217 -0.642 0 O-C-N 121.384 -0.822 . . . . 0.0 109.387 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.9 Cg_endo -73.83 101.93 1.45 Allowed 'Trans proline' 0 C--N 1.354 0.827 0 O-C-N 123.623 1.328 . . . . 0.0 109.968 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -101.16 82.61 2.37 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.481 -0.762 . . . . 0.0 109.579 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.1 p -100.16 38.86 1.41 Allowed 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.441 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -108.18 -173.09 2.19 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.39 -0.819 . . . . 0.0 109.436 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.5 t -76.14 175.2 9.18 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.354 -0.841 . . . . 0.0 109.484 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.7 mm? -76.05 122.52 24.36 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.295 -0.878 . . . . 0.0 109.273 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.94 -43.14 11.36 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.621 ' CB ' HG21 ' A' ' 155' ' ' THR . 29.5 t -68.62 -27.68 66.24 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.532 -0.981 . . . . 0.0 109.907 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -66.42 -37.77 85.95 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.305 -0.872 . . . . 0.0 109.413 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -74.18 -37.86 63.82 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.481 -0.762 . . . . 0.0 109.586 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.414 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 41.1 m -64.34 -43.07 95.76 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.443 -0.786 . . . . 0.0 109.113 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.907 HD23 HD12 ' A' ' 18' ' ' LEU . 80.6 mt -72.29 -29.98 64.38 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.557 -0.715 . . . . 0.0 109.273 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.79 -39.16 93.58 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.709 HD13 ' HA ' ' A' ' 84' ' ' PHE . 95.4 mt -61.98 -43.41 98.89 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.907 HD12 HD23 ' A' ' 15' ' ' LEU . 64.2 mt -59.19 -38.21 79.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.945 -0.472 . . . . 0.0 110.039 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.39 93.18 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.44 -0.787 . . . . 0.0 109.615 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.44 -32.84 72.04 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.415 -0.803 . . . . 0.0 109.843 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.484 ' HG3' ' HB3' ' A' ' 80' ' ' LEU . 18.5 mtp -66.67 -30.18 70.37 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.457 -0.777 . . . . 0.0 110.28 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -48.93 116.59 1.71 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.523 -0.736 . . . . 0.0 109.813 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 2.0 pttp -101.57 -36.57 8.73 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.811 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -114.53 170.49 4.91 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-O 121.538 0.685 . . . . 0.0 109.897 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -96.81 145.28 25.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.22 -33.23 73.14 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.514 -0.741 . . . . 0.0 109.014 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -66.98 -38.6 86.34 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.468 -0.77 . . . . 0.0 108.972 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.2 m -64.75 -29.93 70.92 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.486 -0.759 . . . . 0.0 109.032 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.811 ' SG ' HD12 ' A' ' 24' ' ' ILE . 9.6 m -113.78 55.87 0.71 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.63 -0.669 . . . . 0.0 109.823 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 33' ' ' ARG . 46.6 mt -82.12 7.6 13.05 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.942 -1.099 . . . . 0.0 110.334 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -71.69 -35.44 70.25 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.208 -0.933 . . . . 0.0 108.742 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.607 ' O ' HG21 ' A' ' 142' ' ' VAL . 44.2 m-20 -114.87 30.11 7.57 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -74.91 116.03 15.17 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.427 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' CE1' ' CZ ' ' A' ' 129' ' ' TYR . 28.8 p-80 -176.11 163.47 2.64 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.651 -0.655 . . . . 0.0 109.46 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -93.97 124.72 38.16 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 21.3 m-85 -60.79 -36.95 80.31 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.08 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.19 52.99 0.36 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.486 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 78.1 t80 -62.18 128.75 91.45 Favored Pre-proline 0 C--O 1.216 -0.668 0 O-C-N 121.689 -0.889 . . . . 0.0 108.946 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.486 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.9 Cg_endo -76.8 65.96 7.56 Favored 'Trans proline' 0 C--N 1.352 0.732 0 O-C-N 123.822 1.433 . . . . 0.0 110.695 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.621 ' HG3' HD22 ' A' ' 153' ' ' LEU . 2.8 tm0? -72.82 -14.51 61.53 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -59.07 -27.93 65.99 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 5.1 tp10 -99.16 29.25 3.99 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.532 -0.73 . . . . 0.0 109.067 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.635 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 32.2 m-85 -143.74 37.33 1.32 Allowed 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.364 -0.835 . . . . 0.0 108.896 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -159.11 34.54 0.48 Allowed Glycine 0 C--O 1.216 -0.986 0 C-N-CA 119.838 -1.172 . . . . 0.0 110.46 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -167.87 112.85 0.67 Allowed 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.56 -0.965 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 60.37 23.65 13.17 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.499 -0.751 . . . . 0.0 109.515 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 39.9 m-85 -115.44 35.49 4.37 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.32 -0.862 . . . . 0.0 109.233 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -133.48 154.07 51.1 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.294 -0.879 . . . . 0.0 109.593 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp 67.46 73.93 0.32 Allowed 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . . . 55.01 52.91 11.06 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.68 -0.637 . . . . 0.0 110.159 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -127.31 -55.08 1.35 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.875 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 11.5 t -95.38 7.12 47.15 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.682 -0.636 . . . . 0.0 110.107 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.69 HG23 HD23 ' A' ' 95' ' ' LEU . 31.9 mt -53.38 -45.65 98.37 Favored Pre-proline 0 C--O 1.215 -0.73 0 O-C-N 121.108 -0.995 . . . . 0.0 110.586 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.93 -32.24 54.95 Favored 'Trans proline' 0 C--N 1.356 0.973 0 O-C-N 123.316 1.167 . . . . 0.0 110.633 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.763 ' HA ' HG12 ' A' ' 116' ' ' ILE . 76.7 t -71.74 -46.03 63.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 154' ' ' SER . 47.3 mt -59.86 -32.15 70.43 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.444 ' O ' HD21 ' A' ' 92' ' ' LEU . 60.3 t-80 -65.17 -53.16 49.07 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.685 -0.634 . . . . 0.0 109.738 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -70.25 -23.58 62.93 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.067 -1.021 . . . . 0.0 110.29 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.494 ' HG3' HG11 ' A' ' 119' ' ' VAL . 3.2 ttt -70.88 -45.54 64.18 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.191 -0.943 . . . . 0.0 108.744 178.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.584 HG23 ' CD2' ' A' ' 88' ' ' LEU . 30.1 mt -71.41 -25.31 24.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 121.524 -0.735 . . . . 0.0 109.484 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -72.09 -35.92 69.35 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -70.18 -39.47 75.23 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.444 HG23 ' CE1' ' A' ' 67' ' ' PHE . 83.2 mt -68.56 -31.55 51.56 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.577 ' HA ' HD13 ' A' ' 88' ' ' LEU . 25.9 t80 -62.04 -48.93 78.05 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.722 -0.611 . . . . 0.0 109.746 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.756 ' O ' HG23 ' A' ' 69' ' ' THR . 6.8 m120 -76.84 -33.68 57.9 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.2 tp -63.06 -31.91 73.16 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.314 -0.866 . . . . 0.0 109.235 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CE1' HG23 ' A' ' 63' ' ' ILE . 10.5 m-85 -94.53 -24.19 17.37 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.685 -0.635 . . . . 0.0 110.026 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -80.8 -13.21 59.16 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.855 . . . . 0.0 110.473 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 65' ' ' ASN . 21.5 p -58.4 150.1 23.18 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.179 -0.95 . . . . 0.0 110.065 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -59.98 -22.48 62.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.759 -0.588 . . . . 0.0 110.006 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -78.38 -43.5 27.39 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.355 -0.841 . . . . 0.0 109.591 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 t -75.58 -30.84 59.75 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.405 -0.81 . . . . 0.0 109.593 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.1 m -65.54 -35.51 81.08 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.523 -0.736 . . . . 0.0 109.48 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.12 -24.9 34.88 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.58 73.29 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.475 -0.766 . . . . 0.0 110.084 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 68.7 m95 -113.49 171.41 7.58 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.535 -0.728 . . . . 0.0 109.997 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -69.32 136.06 51.28 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.03 -28.33 68.78 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.588 -0.695 . . . . 0.0 110.598 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -78.1 -43.87 27.78 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.908 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.484 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 83.0 mt -64.34 -37.28 86.96 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.0 mt -72.51 -31.66 65.52 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -57.58 -54.33 48.12 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.81 -33.06 73.44 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.823 ' CE2' HD11 ' A' ' 88' ' ' LEU . 18.3 t80 -65.42 -34.41 78.23 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.771 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -71.4 -32.83 68.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 120.983 -1.073 . . . . 0.0 108.99 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -71.25 -40.66 70.87 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.507 -0.745 . . . . 0.0 109.619 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -73.4 -28.22 61.89 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.3 -0.875 . . . . 0.0 109.553 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.823 HD11 ' CE2' ' A' ' 84' ' ' PHE . 76.4 mt -73.61 -41.14 63.21 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.355 -0.84 . . . . 0.0 109.284 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -77.08 -29.97 55.25 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -73.76 -47.49 38.62 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.303 -0.873 . . . . 0.0 108.893 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.08 -29.66 70.79 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.444 HD21 ' O ' ' A' ' 57' ' ' HIS . 12.3 mt -67.99 -49.06 63.84 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.504 -0.747 . . . . 0.0 109.084 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -56.3 -38.51 71.35 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.703 -0.623 . . . . 0.0 109.693 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -67.74 -46.79 71.12 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 53' ' ' ILE . 52.4 mt -64.65 -22.82 67.07 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.887 -0.508 . . . . 0.0 110.323 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.56 ' HG2' HG13 ' A' ' 100' ' ' ILE . 23.8 tt0 -90.39 -24.63 20.73 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 121.234 -0.916 . . . . 0.0 110.149 -179.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 1' ' ' CYS . . . -51.46 -41.99 61.27 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.289 -0.882 . . . . 0.0 110.327 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.7 m -71.08 -36.65 72.32 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.469 -0.769 . . . . 0.0 109.711 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.87 -29.02 25.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 121.536 -0.728 . . . . 0.0 110.462 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.56 HG13 ' HG2' ' A' ' 96' ' ' GLU . 97.0 mt -70.85 -59.27 3.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 O-C-N 121.284 -0.885 . . . . 0.0 109.853 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -78.04 176.0 9.58 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 121.369 0.604 . . . . 0.0 110.363 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -89.38 49.16 3.44 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.877 HG21 ' HB2' ' A' ' 1' ' ' CYS . 10.4 t -72.76 165.51 3.01 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 O-C-N 121.628 -0.924 . . . . 0.0 108.823 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -69.91 83.83 0.3 Allowed Glycine 0 CA--C 1.531 1.073 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 105' ' ' VAL . 10.6 t -121.97 24.46 4.18 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 O-C-N 121.749 -0.854 . . . . 0.0 109.193 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.45 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 20.9 p -119.67 114.57 22.39 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.153 -0.967 . . . . 0.0 109.454 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 106' ' ' THR . 39.1 mt-10 -157.25 -51.99 0.07 Allowed 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 59.2 p -71.58 157.27 90.17 Favored Pre-proline 0 C--O 1.217 -0.646 0 O-C-N 121.646 -0.659 . . . . 0.0 110.205 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.638 ' HG2' ' HG2' ' A' ' 111' ' ' MET . 41.7 Cg_endo -70.26 175.85 7.95 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 O-C-N 124.416 1.745 . . . . 0.0 110.787 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 110' ' ' LEU . 2.7 pt? -48.39 -9.83 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.638 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 10.6 ptm -66.54 4.67 0.72 Allowed 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.77 -1.206 . . . . 0.0 111.195 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.496 ' CE ' ' HB2' ' A' ' 54' ' ' PRO . 14.2 tmtt? -52.09 -39.44 59.76 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.031 -1.043 . . . . 0.0 109.625 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 32.1 tt0 -73.74 -26.54 60.73 Favored 'General case' 0 C--O 1.211 -0.943 0 O-C-N 121.233 -0.917 . . . . 0.0 109.489 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -63.35 -39.31 94.19 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.487 -0.758 . . . . 0.0 110.286 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.424 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 2.3 p -63.0 -44.9 94.74 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.13 -0.981 . . . . 0.0 109.061 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.763 HG12 ' HA ' ' A' ' 55' ' ' VAL . 68.5 mt -71.08 -30.83 42.71 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 109.144 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.8 tt -67.72 -29.78 69.11 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.414 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -69.45 -45.51 68.89 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.494 HG11 ' HG3' ' A' ' 59' ' ' MET . 49.2 t -67.56 -23.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 120' ' ' ARG . 10.8 tpt180 -70.9 -50.24 37.15 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.393 -0.817 . . . . 0.0 109.497 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -66.31 -24.78 66.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.508 -0.745 . . . . 0.0 109.139 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.417 ' O ' HG13 ' A' ' 126' ' ' ILE . 31.2 t80 -69.66 -50.05 47.79 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.468 ' HA ' HD12 ' A' ' 126' ' ' ILE . 9.1 m-85 -69.56 -24.23 63.67 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.794 -0.566 . . . . 0.0 109.835 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -66.41 -41.08 89.81 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.41 -38.3 90.63 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.478 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 62.3 mt -63.35 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.416 HG22 ' HE2' ' A' ' 131' ' ' LYS . 12.9 m -65.93 -37.07 85.09 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.589 -0.695 . . . . 0.0 109.396 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 128' ' ' LEU . 14.8 tp -65.76 -43.11 89.86 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 121.554 -0.716 . . . . 0.0 109.208 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.424 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -62.5 -32.83 73.8 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.667 -0.646 . . . . 0.0 109.808 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.511 HD22 ' CE2' ' A' ' 140' ' ' TRP . 44.1 mt -73.81 -34.11 64.46 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.522 -0.736 . . . . 0.0 109.639 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.416 ' HE2' HG22 ' A' ' 127' ' ' THR . 54.7 mtmt -81.64 -19.93 40.73 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.99 -1.068 . . . . 0.0 109.482 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -79.98 -47.87 14.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.367 -0.833 . . . . 0.0 109.144 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 5.5 mptp? -82.18 2.8 29.9 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.632 -0.667 . . . . 0.0 109.516 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 59.67 40.38 20.0 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.295 -0.878 . . . . 0.0 109.686 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 88.3 m-85 58.66 51.46 7.77 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.379 0.609 . . . . 0.0 110.06 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.474 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 11.4 m -80.69 163.06 58.1 Favored Pre-proline 0 C--O 1.218 -0.573 0 O-C-N 121.469 -0.769 . . . . 0.0 109.516 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.547 ' O ' HD11 ' A' ' 24' ' ' ILE . 41.4 Cg_endo -68.87 -36.16 14.05 Favored 'Trans proline' 0 C--N 1.349 0.597 0 O-C-N 123.765 1.403 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 16.6 m -68.55 -42.58 78.19 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.476 -0.765 . . . . 0.0 109.145 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -63.63 -39.64 94.87 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.56 -0.713 . . . . 0.0 109.204 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.511 ' CE2' HD22 ' A' ' 130' ' ' LEU . 21.7 m95 -69.21 -38.24 78.46 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.517 -0.739 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.438 ' CG ' HG13 ' A' ' 24' ' ' ILE . 13.3 tp10 -65.69 -39.44 91.28 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 32' ' ' ASP . 44.5 t -64.08 -38.91 83.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.702 ' HA ' ' HG2' ' A' ' 146' ' ' GLU . 87.7 t -74.05 -21.33 17.86 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.803 ' NH1' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -67.38 -52.3 41.69 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 177.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.62 65.93 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.702 ' HG2' ' HA ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -75.74 -35.49 60.2 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.559 -0.713 . . . . 0.0 109.73 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.626 ' N ' ' HG3' ' A' ' 146' ' ' GLU . 22.0 mm -81.22 -31.44 11.74 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 121.371 -0.831 . . . . 0.0 109.276 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.429 ' CG ' ' HB3' ' A' ' 18' ' ' LEU . 47.1 mtp -70.17 -43.08 71.53 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -39.56 58.58 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.491 -0.756 . . . . 0.0 109.991 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.412 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 72.6 m -68.75 -38.81 80.39 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.447 -0.783 . . . . 0.0 109.978 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.817 ' HB3' HD21 ' A' ' 15' ' ' LEU . 28.6 t80 -69.21 -35.24 76.01 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 109.124 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.0 t -69.09 -38.86 79.21 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.621 HD22 ' HG3' ' A' ' 40' ' ' GLN . 47.4 mt -64.25 -39.27 93.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.593 ' HB3' HD22 ' A' ' 56' ' ' LEU . 3.7 m -70.63 -31.49 68.47 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.774 -0.579 . . . . 0.0 110.112 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.621 HG21 ' CB ' ' A' ' 11' ' ' SER . 82.1 p -93.62 -0.37 56.18 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.317 -0.864 . . . . 0.0 110.062 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -82.81 0.87 41.89 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.101 -1.0 . . . . 0.0 110.104 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.502 HD11 ' C ' ' A' ' 43' ' ' PHE . 4.6 mm? -62.79 -18.17 62.31 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 120.958 -1.089 . . . . 0.0 110.03 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -53.07 -42.18 65.6 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.316 -0.865 . . . . 0.0 109.48 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -146.95 112.91 5.77 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.9 0.857 . . . . 0.0 108.713 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 59.2 m -112.44 79.97 1.28 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 161' ' ' LEU . 7.5 mp -80.19 82.46 6.24 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.566 -0.709 . . . . 0.0 109.331 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -125.89 59.54 1.3 Allowed 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 78.3 p -80.41 129.44 34.51 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.77 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -106.38 44.14 1.08 Allowed 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.329 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.73 0.776 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -91.11 76.85 6.08 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 4.3 mm? -67.36 -47.28 48.96 Favored Pre-proline 0 CA--C 1.541 0.625 0 O-C-N 121.586 -0.697 . . . . 0.0 110.203 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 40.6 Cg_endo -70.55 170.8 16.65 Favored 'Trans proline' 0 C--N 1.357 0.999 0 O-C-N 123.475 1.25 . . . . 0.0 111.344 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -80.3 76.45 7.09 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.5 p -125.52 56.35 1.38 Allowed 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 121.816 0.817 . . . . 0.0 108.852 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.477 ' CD2' ' H ' ' A' ' 7' ' ' HIS . 1.6 p80 -96.61 170.04 9.47 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 121.363 0.602 . . . . 0.0 109.758 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.3 p -141.4 -154.92 0.54 Allowed 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.605 -0.684 . . . . 0.0 109.617 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -94.04 52.45 1.63 Allowed 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.304 -0.872 . . . . 0.0 109.802 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.07 -47.48 37.58 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.54 ' HB2' HG21 ' A' ' 155' ' ' THR . 31.4 t -75.04 -36.11 61.87 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.632 -0.922 . . . . 0.0 109.666 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.551 ' HB2' ' HB2' ' A' ' 9' ' ' LEU . 77.4 mtm180 -65.22 -33.4 75.9 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.424 -0.798 . . . . 0.0 109.809 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -72.24 -40.92 67.37 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.28 -0.887 . . . . 0.0 109.055 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -61.15 -42.42 98.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 151' ' ' PHE . 92.2 mt -70.58 -30.9 67.71 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ttp -63.39 -34.81 78.55 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 84' ' ' PHE . 78.5 mt -64.51 -42.6 95.7 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.767 HD12 HD23 ' A' ' 15' ' ' LEU . 65.0 mt -59.58 -30.35 68.59 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 109.554 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.63 -34.58 65.06 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.296 -0.877 . . . . 0.0 109.44 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.05 -46.33 71.42 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.413 -0.805 . . . . 0.0 109.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' LEU . 4.4 ptp -62.0 -26.03 67.99 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.467 -0.77 . . . . 0.0 110.317 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -49.76 110.83 0.42 Allowed 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.448 -0.782 . . . . 0.0 109.514 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 4.7 mtpp -94.02 -38.67 11.03 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.894 HD12 ' SG ' ' A' ' 29' ' ' CYS . 4.6 pt -111.94 167.13 5.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-O 121.526 0.679 . . . . 0.0 109.791 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.6 m -91.17 143.21 26.91 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 30' ' ' LEU . 63.9 tp -59.24 -37.62 78.01 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.766 ' HA ' HD13 ' A' ' 30' ' ' LEU . 94.2 m-85 -60.19 -41.73 93.56 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 t -58.76 -31.01 67.97 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.894 ' SG ' HD12 ' A' ' 24' ' ' ILE . 67.3 m -104.3 51.73 0.77 Allowed 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.701 -0.624 . . . . 0.0 109.788 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.766 HD13 ' HA ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -86.81 12.24 11.39 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.328 -0.858 . . . . 0.0 110.063 179.288 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -103.66 -22.54 13.56 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.2 -0.937 . . . . 0.0 109.608 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.707 ' O ' HG21 ' A' ' 142' ' ' VAL . 79.7 m-20 -112.17 24.49 12.54 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -78.01 101.92 7.15 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 120.945 -1.097 . . . . 0.0 110.076 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -130.22 117.51 19.98 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -72.51 138.87 47.25 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.502 -0.749 . . . . 0.0 109.461 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 44.9 m-85 -89.98 -44.79 9.63 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.31 72.71 0.5 Allowed Glycine 0 CA--C 1.532 1.143 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.1 t80 -69.98 131.93 88.81 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.513 -0.992 . . . . 0.0 109.042 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.8 Cg_endo -84.62 75.61 3.68 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 O-C-N 123.749 1.394 . . . . 0.0 111.195 -179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 41.4 tt0 -77.65 -15.87 58.91 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.215 -0.928 . . . . 0.0 109.358 178.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -57.63 -32.17 66.98 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.183 -0.948 . . . . 0.0 109.279 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.8 tp10 -97.34 40.1 1.17 Allowed 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.3 m-85 -142.08 -64.01 0.43 Allowed 'General case' 0 C--O 1.212 -0.903 0 O-C-N 121.311 -0.868 . . . . 0.0 109.06 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.422 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -71.65 -17.3 76.44 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 7.2 m120 -113.96 139.92 48.83 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.337 -1.096 . . . . 0.0 109.582 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 13.1 mp0 69.34 17.09 8.26 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.915 -0.491 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.863 ' CB ' HG23 ' A' ' 52' ' ' THR . 87.7 m-85 -147.04 125.71 12.55 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.172 -0.955 . . . . 0.0 108.751 178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -169.62 136.94 1.69 Allowed 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.446 -0.784 . . . . 0.0 109.503 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm 58.84 78.5 0.25 Allowed 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.653 -0.654 . . . . 0.0 109.902 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB1' HG12 ' A' ' 103' ' ' VAL . . . 60.76 76.49 0.37 Allowed 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.588 -0.695 . . . . 0.0 110.118 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG2' ' HB ' ' A' ' 105' ' ' VAL . 21.1 mt-10 -148.45 -47.59 0.15 Allowed 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.497 -0.752 . . . . 0.0 109.121 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.863 HG23 ' CB ' ' A' ' 47' ' ' PHE . 1.6 p -81.62 -6.06 58.64 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 121.762 -0.586 . . . . 0.0 109.878 178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.757 HG23 HD23 ' A' ' 95' ' ' LEU . 58.7 mt -44.86 -49.22 28.74 Favored Pre-proline 0 C--O 1.215 -0.751 0 O-C-N 121.346 -0.847 . . . . 0.0 111.4 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.0 Cg_endo -64.08 -36.99 45.05 Favored 'Trans proline' 0 C--N 1.355 0.872 0 O-C-N 123.104 1.054 . . . . 0.0 110.608 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.695 ' HA ' HG12 ' A' ' 116' ' ' ILE . 38.9 t -70.11 -37.66 72.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.627 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 29.4 mt -67.9 -29.99 69.22 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -68.01 -50.58 54.69 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.534 -0.729 . . . . 0.0 109.464 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.617 ' HG2' HG21 ' A' ' 116' ' ' ILE . 16.3 tp10 -71.62 -29.12 64.3 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.155 -0.966 . . . . 0.0 109.778 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.9 ttt -66.18 -47.73 73.0 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.2 -0.937 . . . . 0.0 109.064 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.634 HG23 ' CD2' ' A' ' 88' ' ' LEU . 13.6 mt -67.87 -24.97 31.32 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 121.504 -0.747 . . . . 0.0 109.423 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.91 -35.74 64.67 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -68.7 -39.27 80.59 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 121.54 -0.725 . . . . 0.0 109.217 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.577 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.5 mt -71.07 -33.78 52.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.623 ' HA ' HD13 ' A' ' 88' ' ' LEU . 54.5 t80 -59.6 -42.71 93.2 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.587 -0.696 . . . . 0.0 109.704 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.731 ' O ' HG23 ' A' ' 69' ' ' THR . 21.0 t-20 -79.59 -42.41 25.05 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.616 -0.677 . . . . 0.0 109.908 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD11 HD11 ' A' ' 130' ' ' LEU . 32.5 tp -55.61 -32.45 63.13 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.468 -0.77 . . . . 0.0 109.518 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.577 ' CE1' HG23 ' A' ' 63' ' ' ILE . 16.2 m-85 -94.44 -27.95 15.75 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.493 -0.755 . . . . 0.0 109.891 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 14.7 t -74.27 -19.47 60.48 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.284 -0.885 . . . . 0.0 110.246 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 65' ' ' ASN . 28.3 p -54.57 148.57 12.11 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.728 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -61.99 -22.09 65.39 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.568 -0.707 . . . . 0.0 110.08 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 4.9 m-20 -75.76 -42.66 49.74 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.414 -0.804 . . . . 0.0 109.388 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.4 t -78.65 -30.7 46.45 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.495 -0.753 . . . . 0.0 109.835 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 74.2 m -64.44 -34.98 79.45 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.44 -0.788 . . . . 0.0 109.123 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.8 -25.52 30.35 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' HE2' ' A' ' 23' ' ' LYS . . . -68.24 -31.86 71.65 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.157 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -120.19 177.47 5.0 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.444 -0.785 . . . . 0.0 109.747 -178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.41 135.26 42.38 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.286 -0.884 . . . . 0.0 108.632 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -66.07 -27.79 68.34 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.412 -0.805 . . . . 0.0 110.566 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.8 m -78.38 -44.44 24.99 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.066 -1.021 . . . . 0.0 108.864 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.57 -38.15 90.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.453 HD21 ' HE1' ' A' ' 21' ' ' MET . 11.4 mt -71.25 -32.87 69.26 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -55.69 -52.38 64.07 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.87 -33.21 75.19 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.719 ' CE2' HD11 ' A' ' 88' ' ' LEU . 19.3 t80 -64.64 -33.18 75.32 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 121.692 -0.63 . . . . 0.0 109.482 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -72.16 -37.91 69.27 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.326 -0.859 . . . . 0.0 109.367 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -68.33 -39.95 81.75 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.614 -0.679 . . . . 0.0 109.669 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.567 ' HG3' HD11 ' A' ' 17' ' ' LEU . 56.3 mm-40 -72.41 -31.81 65.82 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.389 -0.819 . . . . 0.0 109.283 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.719 HD11 ' CE2' ' A' ' 84' ' ' PHE . 55.0 mt -67.4 -43.08 82.16 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.497 -0.752 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.546 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -77.88 -24.76 48.35 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.361 -0.837 . . . . 0.0 110.127 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -68.37 -49.99 56.25 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -66.39 -27.94 68.24 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 19.9 mt -69.37 -36.38 76.77 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.457 -0.777 . . . . 0.0 109.453 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -69.27 -43.18 74.45 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.336 -0.852 . . . . 0.0 109.23 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -64.52 -43.72 93.16 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.565 -0.709 . . . . 0.0 109.22 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.757 HD23 HG23 ' A' ' 53' ' ' ILE . 77.1 mt -63.26 -34.94 78.76 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.848 -0.532 . . . . 0.0 109.821 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' O ' HG13 ' A' ' 100' ' ' ILE . 39.3 tt0 -72.16 -39.23 68.87 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 121.461 -0.775 . . . . 0.0 109.955 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 100' ' ' ILE . . . -52.46 -42.74 64.46 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.673 -0.642 . . . . 0.0 110.109 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.651 ' HB2' HG21 ' A' ' 53' ' ' ILE . 54.4 m -66.94 -41.36 87.13 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.397 -0.814 . . . . 0.0 109.262 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.21 -36.17 74.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 121.659 -0.65 . . . . 0.0 109.821 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 97' ' ' ALA . 93.9 mt -61.12 -51.7 70.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.637 0 O-C-N 121.377 -0.827 . . . . 0.0 109.155 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -74.93 -176.09 2.79 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.623 -0.673 . . . . 0.0 109.458 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.64 0.07 62.04 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.588 HG12 ' HB1' ' A' ' 50' ' ' ALA . 41.1 t -67.02 150.34 11.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 O-C-N 121.201 -1.176 . . . . 0.0 109.024 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.07 -145.79 17.25 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.463 ' HB ' ' HG2' ' A' ' 51' ' ' GLU . 3.2 p -147.07 128.68 6.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 121.216 -1.167 . . . . 0.0 110.236 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.497 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 12.2 p -152.79 112.18 3.86 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 106' ' ' THR . 9.3 mm-40 -172.33 -51.76 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.725 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 2.8 p -70.81 173.29 4.93 Favored Pre-proline 0 C--O 1.216 -0.67 0 O-C-N 121.897 -0.502 . . . . 0.0 110.001 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.725 ' HD2' ' HB ' ' A' ' 108' ' ' THR . 34.3 Cg_endo -60.56 177.33 0.63 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.731 1.621 . . . . 0.0 111.468 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 110' ' ' LEU . 4.4 pp -46.58 -8.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.515 ' C ' ' SD ' ' A' ' 111' ' ' MET . 3.5 ppp? -49.62 -15.82 0.19 Allowed 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.911 -1.118 . . . . 0.0 111.152 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -50.4 -46.9 56.57 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 120.99 -1.068 . . . . 0.0 108.661 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -73.68 -28.4 61.73 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 111' ' ' MET . 28.4 t0 -52.91 -34.22 54.0 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.615 -0.678 . . . . 0.0 110.533 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.562 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 46.4 t -61.47 -48.75 79.68 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.003 -1.061 . . . . 0.0 108.327 178.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.695 HG12 ' HA ' ' A' ' 55' ' ' VAL . 69.7 mt -64.79 -34.07 67.66 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 117' ' ' LEU . 63.0 mt -66.73 -30.72 71.02 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.597 -0.69 . . . . 0.0 109.462 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.481 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.49 -44.46 78.46 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.36 -28.62 44.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -68.02 -44.21 77.04 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -67.45 -35.66 79.65 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 126' ' ' ILE . 84.0 t80 -62.36 -50.66 70.7 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.702 -0.624 . . . . 0.0 109.418 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -68.74 -27.75 66.19 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.689 -0.632 . . . . 0.0 110.243 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -64.0 -40.55 96.61 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.2 tpp85 -68.18 -36.15 79.16 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.793 HD11 ' CE2' ' A' ' 122' ' ' TYR . 62.1 mt -63.25 -38.63 82.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.1 m -64.14 -43.55 94.88 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.547 -0.721 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.499 HD12 ' HE3' ' A' ' 131' ' ' LYS . 17.1 tp -63.06 -40.06 96.58 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.509 -0.745 . . . . 0.0 109.011 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -57.96 -43.99 86.75 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.331 0.586 . . . . 0.0 109.525 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.497 HD11 HD11 ' A' ' 66' ' ' LEU . 52.7 mt -64.92 -40.38 94.98 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.499 ' HE3' HD12 ' A' ' 128' ' ' LEU . 55.9 mtmt -72.65 -21.98 61.01 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.184 -0.948 . . . . 0.0 109.92 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -48.54 21.3 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.256 -0.902 . . . . 0.0 109.32 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -82.65 3.07 30.44 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 109.706 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 59.79 39.24 20.97 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.359 -0.838 . . . . 0.0 109.655 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 62.3 m-85 60.24 52.53 4.89 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.706 -0.621 . . . . 0.0 109.747 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.462 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 18.0 m -77.06 162.7 68.88 Favored Pre-proline 0 C--O 1.218 -0.594 0 O-C-N 121.494 -0.754 . . . . 0.0 109.179 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.9 Cg_endo -69.27 -42.15 4.19 Favored 'Trans proline' 0 C--N 1.348 0.545 0 O-C-N 123.727 1.383 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.9 -35.7 77.16 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.448 -0.783 . . . . 0.0 109.043 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -62.64 -39.32 93.47 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.553 -0.717 . . . . 0.0 109.214 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.476 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 28.9 m95 -72.09 -33.71 68.08 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.496 -0.752 . . . . 0.0 110.091 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.589 ' CG ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -66.3 -40.57 90.08 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.186 -0.946 . . . . 0.0 108.604 178.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.707 HG21 ' O ' ' A' ' 32' ' ' ASP . 55.0 t -63.31 -43.81 98.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 139' ' ' ALA . 58.3 t -68.7 -24.96 29.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.437 ' HD2' ' C ' ' A' ' 144' ' ' ARG . 6.1 tmm_? -67.89 -48.6 65.59 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.279 -0.888 . . . . 0.0 108.704 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.22 -33.57 75.65 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.47 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 30.2 mm-40 -67.19 -37.35 83.52 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.608 -0.682 . . . . 0.0 109.721 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 143' ' ' VAL . 19.8 mm -74.8 -36.18 38.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 109.192 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.575 ' HA ' HD22 ' A' ' 15' ' ' LEU . 30.9 ttm -62.8 -45.83 90.81 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.449 -0.782 . . . . 0.0 109.401 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 17.2 ttt85 -67.76 -52.48 36.81 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 121.851 -0.53 . . . . 0.0 110.009 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 153' ' ' LEU . 66.8 m -55.7 -45.29 77.87 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.955 -0.466 . . . . 0.0 110.57 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.908 ' HB3' HD21 ' A' ' 15' ' ' LEU . 29.1 t80 -65.53 -34.6 78.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.527 -0.733 . . . . 0.0 109.906 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.3 t -74.1 -31.69 62.9 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.367 -0.833 . . . . 0.0 109.353 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 150' ' ' SER . 46.3 mt -69.87 -37.23 76.02 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.522 -0.736 . . . . 0.0 109.083 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.627 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 48.2 m -73.64 -36.82 65.45 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 109.813 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 11' ' ' SER . 81.5 p -88.35 -3.22 58.88 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.439 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -68.26 -9.03 44.43 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.329 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 43' ' ' PHE . 3.5 mm? -58.44 -20.66 46.8 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 120.956 -1.09 . . . . 0.0 110.822 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.419 ' HG3' ' HG2' ' A' ' 159' ' ' GLU . 1.2 pt20 -61.7 -17.93 57.63 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.098 -1.001 . . . . 0.0 109.983 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 159' ' ' GLU . 6.9 pt-20 -141.21 112.11 7.17 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.247 -0.908 . . . . 0.0 108.864 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.4 p -102.37 -52.4 3.13 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.812 -0.555 . . . . 0.0 109.519 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 161' ' ' LEU . 5.2 tt -98.8 88.64 4.09 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -166.01 -59.27 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.291 -0.881 . . . . 0.0 109.718 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.3 t -105.38 117.39 33.9 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.375 -0.828 . . . . 0.0 109.367 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -162.7 94.22 0.85 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.496 -0.753 . . . . 0.0 109.123 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 118.466 -0.778 . . . . 0.0 109.899 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.803 ' SG ' HD22 ' A' ' 3' ' ' LEU . 16.0 p . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.293 0.568 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.97 72.12 5.47 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.635 -0.666 . . . . 0.0 109.758 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.803 HD22 ' SG ' ' A' ' 1' ' ' CYS . 1.0 OUTLIER -143.44 48.8 1.01 Allowed Pre-proline 0 C--O 1.216 -0.681 0 O-C-N 121.021 -1.05 . . . . 0.0 110.755 178.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 3' ' ' LEU . 37.6 Cg_endo -62.81 161.51 28.71 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.028 1.819 . . . . 0.0 110.712 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -105.18 64.59 0.71 Allowed 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.472 -0.768 . . . . 0.0 109.12 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.9 p -138.42 -70.59 0.42 Allowed 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.443 -0.786 . . . . 0.0 109.861 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -122.29 -178.33 3.85 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.189 -0.945 . . . . 0.0 110.143 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.3 p -175.92 127.91 0.23 Allowed 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.7 pt? -148.83 30.2 0.81 Allowed 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.421 -0.799 . . . . 0.0 110.069 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.27 -43.25 7.56 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.628 ' CB ' HG21 ' A' ' 155' ' ' THR . 80.0 p -88.07 -26.87 22.32 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.548 -0.972 . . . . 0.0 110.246 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -63.07 -40.18 96.9 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -74.4 -43.08 57.93 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.463 -0.773 . . . . 0.0 109.951 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.1 m -58.96 -44.94 91.59 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.432 -0.792 . . . . 0.0 109.651 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.89 HD21 ' HB3' ' A' ' 151' ' ' PHE . 81.1 mt -68.25 -33.3 74.13 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.623 -0.673 . . . . 0.0 109.412 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -62.57 -39.46 93.76 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 84' ' ' PHE . 60.9 mt -60.84 -44.76 96.52 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 HD23 ' A' ' 15' ' ' LEU . 73.2 mt -58.95 -38.87 80.02 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.737 -0.602 . . . . 0.0 109.824 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.62 93.77 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.51 -0.744 . . . . 0.0 109.826 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.04 -32.7 74.13 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.467 -0.771 . . . . 0.0 110.228 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.423 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 17.7 mtm -68.09 -29.09 67.94 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.298 -0.876 . . . . 0.0 110.592 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -49.82 111.22 0.48 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.463 -0.773 . . . . 0.0 109.663 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 1.0 OUTLIER -94.35 -38.82 10.79 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 121.406 0.622 . . . . 0.0 109.444 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.932 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -114.25 170.44 4.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-O 121.575 0.703 . . . . 0.0 110.595 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.5 m -91.51 143.54 26.49 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' O ' HD13 ' A' ' 30' ' ' LEU . 44.0 tp -60.72 -35.92 77.54 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.602 -0.686 . . . . 0.0 109.498 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.715 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 77.8 m-85 -65.76 -38.95 90.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -61.73 -26.87 68.33 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.932 ' SG ' HD12 ' A' ' 24' ' ' ILE . 37.4 m -105.86 51.91 0.74 Allowed 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.566 -0.709 . . . . 0.0 109.767 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.715 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -81.83 9.0 8.8 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.188 -0.945 . . . . 0.0 109.957 178.464 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -87.65 -28.98 21.52 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.159 -0.963 . . . . 0.0 109.537 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.743 ' O ' HG21 ' A' ' 142' ' ' VAL . 90.4 m-20 -114.55 21.92 14.09 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.608 -0.682 . . . . 0.0 109.864 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 33.2 tpt85 -66.4 108.56 2.41 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.994 -1.066 . . . . 0.0 109.55 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -150.34 140.07 21.72 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.195 0.522 . . . . 0.0 109.762 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -98.76 138.71 35.53 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -85.71 -42.16 14.5 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 109.705 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.33 43.95 1.42 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 58.2 t80 -43.02 134.64 3.01 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 121.693 -0.886 . . . . 0.0 110.456 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.606 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 56.6 Cg_endo -80.93 81.41 2.74 Favored 'Trans proline' 0 C--N 1.356 0.951 0 O-C-N 123.679 1.357 . . . . 0.0 110.871 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.0 OUTLIER -82.45 -19.99 37.84 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.21 -0.931 . . . . 0.0 109.775 179.193 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.0 -31.47 41.15 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.387 -0.821 . . . . 0.0 109.516 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' HG2' ' HB2' ' A' ' 115' ' ' SER . 0.9 OUTLIER -101.38 46.72 0.93 Allowed 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 10.8 m-85 -148.75 -72.48 0.19 Allowed 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.339 -0.851 . . . . 0.0 109.199 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.9 -34.63 89.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -109.53 151.1 27.21 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.732 -0.864 . . . . 0.0 109.117 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 76.09 15.94 2.33 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.865 -0.522 . . . . 0.0 110.287 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.532 ' O ' HD12 ' A' ' 157' ' ' LEU . 98.4 m-85 -149.44 92.75 1.97 Allowed 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.04 -1.038 . . . . 0.0 108.796 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' H ' ' HG3' ' A' ' 51' ' ' GLU . 94.6 mm-40 -116.35 111.62 20.34 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.173 -0.954 . . . . 0.0 110.54 -177.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? 60.97 105.58 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.278 0.561 . . . . 0.0 111.258 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.773 ' HB2' HD12 ' A' ' 3' ' ' LEU . . . 52.59 66.43 1.22 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.599 -0.688 . . . . 0.0 109.988 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 48' ' ' GLN . 6.5 mm-40 -139.23 -49.83 0.51 Allowed 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.423 -0.798 . . . . 0.0 109.588 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.532 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 13.0 t -91.1 5.05 50.51 Favored 'General case' 0 C--O 1.212 -0.915 0 O-C-N 121.81 -0.556 . . . . 0.0 110.175 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.625 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 52.3 mt -51.38 -44.62 89.17 Favored Pre-proline 0 C--O 1.213 -0.848 0 O-C-N 121.129 -0.982 . . . . 0.0 110.617 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.5 -31.45 51.06 Favored 'Trans proline' 0 C--N 1.357 0.987 0 O-C-N 123.23 1.121 . . . . 0.0 110.669 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.681 ' HA ' HG12 ' A' ' 116' ' ' ILE . 21.8 t -73.75 -42.01 54.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 121.374 -0.829 . . . . 0.0 108.769 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.619 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.8 mt -64.77 -34.57 78.65 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CD2' HD23 ' A' ' 92' ' ' LEU . 59.8 t-80 -64.0 -51.41 64.37 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.639 -0.663 . . . . 0.0 109.489 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -26.85 65.75 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.235 -0.916 . . . . 0.0 109.339 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 ttt -67.32 -38.84 85.59 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.656 HG21 ' HG ' ' A' ' 92' ' ' LEU . 7.1 mm -65.38 -33.55 64.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.84 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -70.2 -39.09 75.38 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.6 -0.688 . . . . 0.0 109.652 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.46 -43.02 82.09 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.607 HG23 ' CE1' ' A' ' 67' ' ' PHE . 76.2 mt -71.95 -27.45 27.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 178.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.539 ' HA ' HD13 ' A' ' 88' ' ' LEU . 20.9 t80 -64.74 -44.95 88.49 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.353 -0.842 . . . . 0.0 109.392 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 69' ' ' THR . 9.8 m120 -77.73 -38.73 46.45 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.833 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.536 HD11 HD11 ' A' ' 130' ' ' LEU . 52.0 tp -58.71 -32.07 68.84 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.695 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.607 ' CE1' HG23 ' A' ' 63' ' ' ILE . 9.2 m-85 -97.22 -25.13 15.39 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.507 -0.745 . . . . 0.0 110.043 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.2 t -73.6 -20.48 60.59 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.317 -0.865 . . . . 0.0 110.172 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 65' ' ' ASN . 31.9 p -54.87 145.94 18.68 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.286 -0.883 . . . . 0.0 109.869 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.8 -26.43 65.74 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.651 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.4 m-20 -70.3 -43.88 69.47 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.459 -0.776 . . . . 0.0 109.416 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.483 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 12.2 t -75.54 -31.86 60.24 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.472 -0.768 . . . . 0.0 109.796 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.9 m -63.54 -36.59 84.3 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.565 -0.709 . . . . 0.0 109.399 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.25 -25.43 34.1 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.74 -30.74 68.41 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.517 -0.739 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 71.4 m95 -121.65 171.03 9.14 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.427 -0.795 . . . . 0.0 110.036 -178.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 131.21 46.0 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.41 -25.65 68.11 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 121.46 -0.775 . . . . 0.0 110.367 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.6 m -79.67 -44.28 21.19 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.137 -0.977 . . . . 0.0 108.74 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 96.4 mt -62.98 -38.85 92.79 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -71.29 -33.33 69.62 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -55.65 -52.95 62.09 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 83' ' ' LYS . 52.6 mtpt -63.71 -31.81 73.1 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 88' ' ' LEU . 17.2 t80 -68.54 -28.77 67.27 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 121.735 -0.603 . . . . 0.0 109.807 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.483 ' OH ' HD13 ' A' ' 81' ' ' LEU . 25.9 m-85 -77.32 -52.93 8.34 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.025 -1.047 . . . . 0.0 109.236 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.5 m -63.41 -29.42 70.71 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.729 -0.607 . . . . 0.0 109.736 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 90' ' ' GLN . 2.5 tt0 -76.98 -32.91 57.59 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.43 -0.794 . . . . 0.0 109.501 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 84' ' ' PHE . 53.5 mt -70.88 -38.42 73.07 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.473 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 14.0 t80 -77.28 -37.74 52.23 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 110.261 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 87' ' ' GLU . 3.3 pt20 -67.63 -38.19 83.54 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 120.984 -1.073 . . . . 0.0 108.59 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -70.27 -30.25 67.23 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.656 ' HG ' HG21 ' A' ' 60' ' ' ILE . 9.6 mt -67.81 -33.38 74.68 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.31 -40.99 70.45 Favored 'General case' 0 C--O 1.214 -0.768 0 O-C-N 121.427 -0.796 . . . . 0.0 109.311 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 -40.82 81.69 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.358 -0.838 . . . . 0.0 109.388 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt -65.29 -37.15 86.25 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.642 -0.661 . . . . 0.0 109.304 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 100' ' ' ILE . 88.6 tt0 -73.49 -31.04 63.52 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.667 -0.646 . . . . 0.0 109.77 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.589 ' HA ' HD12 ' A' ' 100' ' ' ILE . . . -53.3 -47.43 69.22 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.595 -0.69 . . . . 0.0 109.787 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 1' ' ' CYS . 88.4 m -60.56 -44.35 96.25 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.452 -0.78 . . . . 0.0 109.249 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.67 -35.93 62.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 O-C-N 121.833 -0.542 . . . . 0.0 109.954 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 97' ' ' ALA . 95.7 mt -58.0 -52.64 55.8 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -78.31 -172.7 2.94 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.76 48.38 3.86 Favored Glycine 0 CA--C 1.533 1.186 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.609 HG11 ' SG ' ' A' ' 1' ' ' CYS . 21.5 t -127.42 154.08 37.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 O-C-N 121.649 -0.912 . . . . 0.0 109.276 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.572 ' H ' ' HB1' ' A' ' 50' ' ' ALA . . . 104.79 -27.37 19.2 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.1 m -134.11 172.89 15.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 O-C-N 121.258 -1.142 . . . . 0.0 109.99 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.3 p -91.29 -163.39 1.03 Allowed 'General case' 0 C--O 1.219 -0.553 0 O-C-N 121.568 -0.708 . . . . 0.0 109.157 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -51.19 -34.09 30.29 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.418 -0.802 . . . . 0.0 109.955 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.6 p -138.97 135.9 17.92 Favored Pre-proline 0 C--O 1.218 -0.587 0 O-C-N 121.334 -0.854 . . . . 0.0 109.049 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.589 ' HB2' ' HG2' ' A' ' 112' ' ' LYS . 38.3 Cg_endo -71.11 103.58 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 O-C-N 123.782 1.411 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 92.5 mt -121.52 -41.55 2.48 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.505 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.4 ptp -93.7 25.8 3.39 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.785 -0.572 . . . . 0.0 110.197 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.589 ' HG2' ' HB2' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -97.4 -27.22 14.57 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.115 -0.991 . . . . 0.0 110.886 -179.241 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -98.86 -50.2 4.29 Favored 'General case' 0 C--O 1.208 -1.082 0 O-C-N 120.81 -1.181 . . . . 0.0 110.747 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -35.7 55.72 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.286 -0.884 . . . . 0.0 111.009 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.565 ' HB3' ' CG2' ' A' ' 55' ' ' VAL . 23.4 t -72.66 -46.8 52.08 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.155 -0.965 . . . . 0.0 109.705 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.681 HG12 ' HA ' ' A' ' 55' ' ' VAL . 73.6 mt -67.93 -35.18 71.12 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 O-C-N 121.433 -0.792 . . . . 0.0 109.053 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.5 tt -61.31 -37.51 83.48 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.95 75.82 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.445 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 23.0 t -66.01 -23.14 31.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -73.55 -45.2 54.95 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.256 -0.902 . . . . 0.0 110.01 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -74.34 -29.47 61.61 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.445 -0.784 . . . . 0.0 109.427 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 126' ' ' ILE . 4.3 m-85 -76.43 -35.57 58.45 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.469 -0.77 . . . . 0.0 109.619 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -73.65 -31.07 63.31 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.92 -43.08 99.59 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -61.22 -42.15 98.1 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 122' ' ' TYR . 64.5 mt -59.97 -36.89 69.82 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 O-C-N 121.64 -0.663 . . . . 0.0 109.395 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.2 m -65.04 -43.63 91.7 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.513 -0.742 . . . . 0.0 109.459 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.0 mm? -68.08 -30.98 70.3 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.451 -0.781 . . . . 0.0 109.378 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -62.24 -40.5 96.39 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.536 HD11 HD11 ' A' ' 66' ' ' LEU . 75.8 mt -65.71 -46.39 79.15 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.39 -25.04 67.85 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.035 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.75 -50.35 36.96 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.349 -0.845 . . . . 0.0 109.357 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.485 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.2 mptt -82.8 5.09 22.72 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.684 -0.635 . . . . 0.0 109.81 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 61.75 42.09 11.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.504 -0.747 . . . . 0.0 109.793 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 87.5 m-85 57.87 51.31 9.25 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 121.612 0.72 . . . . 0.0 109.563 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.1 t -76.52 148.96 80.78 Favored Pre-proline 0 C--O 1.215 -0.722 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.96 -30.39 57.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 O-C-N 123.725 1.381 . . . . 0.0 110.748 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -43.71 54.24 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.447 -0.783 . . . . 0.0 108.982 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.89 -33.58 76.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.623 -0.673 . . . . 0.0 109.266 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 11.1 m95 -66.61 -36.34 82.37 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.514 -0.741 . . . . 0.0 109.671 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.5 -31.88 69.16 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.309 -0.869 . . . . 0.0 109.154 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.743 HG21 ' O ' ' A' ' 32' ' ' ASP . 65.3 t -64.09 -41.56 92.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 176.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 147' ' ' ILE . 67.6 t -74.07 -24.61 19.42 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.5 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 26.6 ttp85 -68.46 -47.68 66.5 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.195 -0.94 . . . . 0.0 108.719 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 149' ' ' ARG . . . -68.05 -32.17 72.34 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.84 -30.95 62.96 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.617 -0.677 . . . . 0.0 109.975 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.6 mm -78.58 -34.53 17.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.136 -0.977 . . . . 0.0 109.253 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.57 ' HG3' HD22 ' A' ' 15' ' ' LEU . 29.4 ttm -74.7 -37.65 62.57 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.461 ' CZ ' HD11 ' A' ' 153' ' ' LEU . 1.6 tmm_? -73.09 -43.09 62.28 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.539 -0.726 . . . . 0.0 109.275 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.535 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 75.0 m -65.58 -40.54 92.86 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.89 ' HB3' HD21 ' A' ' 15' ' ' LEU . 44.6 t80 -66.7 -40.12 88.36 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -65.21 -37.55 87.64 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.569 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 71.0 mt -64.42 -40.38 95.65 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.602 -0.686 . . . . 0.0 109.312 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.619 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 70.9 m -72.5 -25.84 61.56 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.655 -0.653 . . . . 0.0 110.126 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.628 HG21 ' CB ' ' A' ' 11' ' ' SER . 44.1 p -101.82 2.13 37.93 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 110.146 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -76.69 3.11 12.37 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.217 -0.927 . . . . 0.0 110.742 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.566 HD11 ' O ' ' A' ' 43' ' ' PHE . 4.2 mm? -50.88 -18.93 0.85 Allowed 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.086 -1.009 . . . . 0.0 111.324 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -52.89 -26.88 16.22 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.137 -0.977 . . . . 0.0 110.651 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 159' ' ' GLU . 0.0 OUTLIER -155.54 128.91 8.31 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.01 -1.056 . . . . 0.0 108.992 177.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 34.2 p -156.63 101.25 1.98 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 161' ' ' LEU . 96.7 mt -81.45 -178.68 7.04 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.389 -0.82 . . . . 0.0 109.629 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.6 ptt85 -154.0 81.97 1.14 Allowed 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.304 -0.872 . . . . 0.0 109.611 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 77.5 p -86.14 131.13 34.32 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.326 -0.859 . . . . 0.0 109.431 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -141.52 84.44 1.91 Allowed 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.408 -0.808 . . . . 0.0 109.323 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.894 -1.05 . . . . 0.0 109.48 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.534 0.683 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.68 64.63 1.43 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.416 0.627 . . . . 0.0 109.766 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.626 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.4 mm? -68.91 -56.93 8.43 Favored Pre-proline 0 C--O 1.216 -0.698 0 O-C-N 121.423 -0.798 . . . . 0.0 109.109 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 53.6 Cg_endo -78.74 170.86 17.51 Favored 'Trans proline' 0 C--N 1.353 0.773 0 O-C-N 123.686 1.361 . . . . 0.0 110.079 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -79.59 68.09 5.54 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.375 -0.828 . . . . 0.0 109.422 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -127.13 4.98 6.42 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.424 -0.798 . . . . 0.0 110.293 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 0.3 OUTLIER -60.25 -176.47 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.25 -0.906 . . . . 0.0 110.979 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 m -139.36 -153.97 0.5 Allowed 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.572 -0.705 . . . . 0.0 109.506 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.692 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -130.73 86.93 2.43 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.152 -0.967 . . . . 0.0 109.541 -179.291 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.89 -40.07 5.99 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.637 ' HB2' HG21 ' A' ' 155' ' ' THR . 74.7 p -66.98 -29.64 69.54 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.493 -1.004 . . . . 0.0 110.11 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.56 ' HD3' HD12 ' A' ' 9' ' ' LEU . 80.2 ttt180 -64.35 -37.76 88.66 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.381 -0.825 . . . . 0.0 109.639 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -75.99 -40.11 54.41 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.36 -0.838 . . . . 0.0 109.941 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.7 m -62.75 -42.22 99.57 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.324 -0.86 . . . . 0.0 109.51 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 18' ' ' LEU . 46.9 mt -69.68 -32.82 71.66 Favored 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.566 -0.708 . . . . 0.0 109.156 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.7 ttp -64.35 -37.03 86.05 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 84' ' ' PHE . 94.3 mt -64.31 -39.52 94.09 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.658 ' HG ' ' CE2' ' A' ' 84' ' ' PHE . 12.3 mt -59.26 -36.63 75.85 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.78 73.58 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.48 -0.762 . . . . 0.0 109.92 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.436 ' NE2' HD23 ' A' ' 17' ' ' LEU . 66.4 mt-30 -66.0 -43.42 87.78 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.019 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.574 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 28.2 mtm -64.53 -27.42 68.96 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.413 -0.804 . . . . 0.0 110.111 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.07 98.79 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.382 0.61 . . . . 0.0 109.852 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -84.35 -43.54 14.64 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.917 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.7 pt -108.83 168.37 3.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-O 121.372 0.606 . . . . 0.0 109.552 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.8 m -100.59 157.45 16.66 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.548 -0.72 . . . . 0.0 109.705 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD11 ' HG3' ' A' ' 33' ' ' ARG . 61.5 tp -65.12 -29.67 70.54 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HA ' ' CG ' ' A' ' 30' ' ' LEU . 90.8 m-85 -67.37 -37.54 83.34 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -67.63 -30.07 69.55 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.389 -0.819 . . . . 0.0 108.975 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.917 ' SG ' HD12 ' A' ' 24' ' ' ILE . 60.3 m -112.36 54.26 0.71 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.541 -0.724 . . . . 0.0 109.985 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 75.6 mt -86.79 1.21 53.05 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.952 -1.093 . . . . 0.0 110.49 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 27.3 tptp -84.22 -29.76 26.29 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.19 -0.944 . . . . 0.0 109.527 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' HA ' ' A' ' 139' ' ' ALA . 2.1 p-10 -107.58 16.19 24.0 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.47 -0.769 . . . . 0.0 110.777 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' HD11 ' A' ' 26' ' ' LEU . 23.3 ttm180 -71.99 119.06 15.64 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 120.604 -1.31 . . . . 0.0 109.676 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -137.8 129.35 28.15 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.3 113.68 6.86 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.51 -0.744 . . . . 0.0 109.243 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 76.3 m-85 -71.82 -42.16 67.34 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.541 -0.725 . . . . 0.0 109.254 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.45 61.85 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.627 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 69.3 t80 -70.06 128.48 91.58 Favored Pre-proline 0 C--O 1.217 -0.622 0 O-C-N 121.467 -1.019 . . . . 0.0 108.543 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 55.4 Cg_endo -77.83 64.62 8.22 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 O-C-N 123.718 1.378 . . . . 0.0 111.13 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.719 ' HG3' HD22 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -72.35 -21.0 61.37 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.353 -0.842 . . . . 0.0 109.304 178.282 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.45 -33.51 65.96 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.379 -0.825 . . . . 0.0 108.929 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 47' ' ' PHE . 15.6 tt0 -97.66 29.9 3.16 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.406 -0.809 . . . . 0.0 109.21 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 5.0 m-85 -135.09 45.85 2.48 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 157' ' ' LEU . . . -153.8 -79.04 0.02 OUTLIER Glycine 0 C--O 1.217 -0.935 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -74.81 130.52 39.59 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.913 -0.757 . . . . 0.0 109.222 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 72.47 23.49 3.12 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.918 -0.489 . . . . 0.0 109.932 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.635 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 79.0 m-85 -145.02 33.01 1.11 Allowed 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.097 -1.002 . . . . 0.0 109.549 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -131.93 39.68 3.42 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 121.315 -0.865 . . . . 0.0 109.922 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -161.57 63.4 0.26 Allowed 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.343 -0.848 . . . . 0.0 108.727 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.24 33.74 23.44 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.599 -0.688 . . . . 0.0 109.416 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 36.9 mt-10 -108.08 -40.63 5.15 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.418 -0.801 . . . . 0.0 109.817 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.635 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 5.6 t -94.89 3.92 54.41 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.746 -0.596 . . . . 0.0 110.611 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.663 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 47.5 mt -58.3 -41.98 92.38 Favored Pre-proline 0 C--O 1.213 -0.861 0 O-C-N 120.94 -1.1 . . . . 0.0 109.96 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -66.09 -29.17 48.43 Favored 'Trans proline' 0 C--N 1.358 1.03 0 O-C-N 123.131 1.069 . . . . 0.0 110.221 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.653 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.46 -41.65 49.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.591 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 43.4 mt -65.39 -37.19 86.24 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -61.89 -47.95 82.66 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.675 -0.641 . . . . 0.0 109.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.951 ' HG3' HD13 ' A' ' 116' ' ' ILE . 61.2 mm-40 -69.63 -28.51 65.97 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.532 -0.73 . . . . 0.0 109.539 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 ttt -68.19 -36.79 80.13 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.372 -0.83 . . . . 0.0 109.068 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.736 HG21 ' HG ' ' A' ' 92' ' ' LEU . 9.0 mm -67.7 -37.61 78.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -71.35 -34.59 70.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.53 -0.731 . . . . 0.0 109.74 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -69.8 -43.89 71.19 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 121.33 -0.856 . . . . 0.0 109.223 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 67' ' ' PHE . 91.7 mt -69.27 -29.8 43.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.683 ' HA ' HD13 ' A' ' 88' ' ' LEU . 55.8 t80 -61.99 -43.93 97.8 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.389 -0.819 . . . . 0.0 109.821 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 69' ' ' THR . 1.9 t-20 -78.17 -39.55 40.54 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.53 -0.732 . . . . 0.0 109.865 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 130' ' ' LEU . 40.5 tp -60.0 -30.36 69.09 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.371 -0.831 . . . . 0.0 109.606 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 63' ' ' ILE . 7.3 m-85 -98.11 -15.76 19.83 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.572 -0.705 . . . . 0.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.9 t -85.03 -17.26 38.06 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.154 -0.966 . . . . 0.0 109.651 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 65' ' ' ASN . 7.0 p -54.83 147.82 14.32 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.432 -0.792 . . . . 0.0 110.214 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.01 -24.57 67.98 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.59 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.62 -38.27 55.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.528 -0.732 . . . . 0.0 109.511 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.525 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 87.7 p -78.05 -32.23 50.75 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.489 -0.757 . . . . 0.0 109.79 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 69.4 m -66.75 -35.53 80.31 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.678 -0.638 . . . . 0.0 109.494 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.86 36.81 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.6 -0.687 . . . . 0.0 109.152 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.69 67.87 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.524 -0.735 . . . . 0.0 110.33 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.499 ' CH2' ' HD3' ' A' ' 144' ' ' ARG . 77.7 m95 -111.05 174.08 6.03 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.633 -0.667 . . . . 0.0 110.055 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.26 131.05 44.67 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -63.95 -28.28 69.71 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.381 -0.824 . . . . 0.0 110.39 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.8 m -76.65 -45.39 30.08 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.269 -0.894 . . . . 0.0 108.92 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.574 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 91.6 mt -63.21 -38.5 91.4 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.56 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 9.7 mt -69.47 -32.96 72.19 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.97 -49.49 75.56 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' N ' ' HE2' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -65.5 -30.06 70.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.383 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -64.83 -41.75 95.49 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.391 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.24 -37.61 85.92 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.361 -0.837 . . . . 0.0 109.409 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -38.63 81.48 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.627 -0.67 . . . . 0.0 109.835 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.423 ' HG3' HD11 ' A' ' 17' ' ' LEU . 64.8 mm-40 -74.29 -27.42 60.72 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.683 HD13 ' HA ' ' A' ' 64' ' ' PHE . 71.5 mt -74.17 -40.32 62.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.405 -0.81 . . . . 0.0 109.341 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -36.49 61.76 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.383 -0.823 . . . . 0.0 110.237 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -73.3 -42.65 62.15 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.216 -0.927 . . . . 0.0 109.374 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -66.63 -27.73 67.92 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.414 -0.804 . . . . 0.0 108.924 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.736 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.5 mt -66.41 -48.15 70.97 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.75 -40.31 87.7 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.808 -0.557 . . . . 0.0 109.818 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.21 -45.74 86.95 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.263 -0.898 . . . . 0.0 108.673 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.427 HD12 HG13 ' A' ' 60' ' ' ILE . 57.8 mt -61.03 -30.29 70.22 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 100' ' ' ILE . 92.5 mt-10 -73.11 -31.46 64.34 Favored 'General case' 0 C--O 1.209 -1.049 0 O-C-N 121.589 -0.695 . . . . 0.0 109.776 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.55 -52.23 10.75 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.816 -0.553 . . . . 0.0 110.587 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 85.2 m -60.14 -46.11 90.77 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.305 -0.872 . . . . 0.0 108.782 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.22 -32.9 51.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 121.778 -0.576 . . . . 0.0 110.43 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 96' ' ' GLU . 21.7 mm -61.92 -55.12 26.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 O-C-N 121.125 -0.984 . . . . 0.0 109.195 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -75.36 177.25 6.74 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.647 -0.658 . . . . 0.0 109.633 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.99 -30.03 76.2 Favored Glycine 0 CA--C 1.536 1.368 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 3' ' ' LEU . 2.5 m -60.09 101.73 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.808 0 O-C-N 121.53 -0.983 . . . . 0.0 109.949 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.16 -125.45 0.77 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.648 HG21 ' HG3' ' A' ' 54' ' ' PRO . 37.2 t -134.04 29.08 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 121.634 -0.921 . . . . 0.0 109.764 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 21.5 p -87.84 110.03 20.2 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 120.946 -1.096 . . . . 0.0 110.032 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 106' ' ' THR . 38.4 mt-10 -162.46 -68.47 0.05 Allowed 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 p -148.34 132.05 8.42 Favored Pre-proline 0 C--O 1.216 -0.668 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.422 ' HB3' ' HD3' ' A' ' 112' ' ' LYS . 40.8 Cg_endo -75.64 95.4 1.01 Allowed 'Trans proline' 0 C--O 1.218 -0.493 0 O-C-N 123.587 1.309 . . . . 0.0 111.948 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.624 ' H ' HD23 ' A' ' 110' ' ' LEU . 2.5 pt? -122.55 -44.23 2.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.005 176.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.616 ' N ' ' HG ' ' A' ' 110' ' ' LEU . 5.1 ptm -121.16 22.63 10.86 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 121.608 -0.683 . . . . 0.0 109.504 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 62.3 pttt -55.89 -39.18 71.19 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.299 -0.876 . . . . 0.0 109.664 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 35.4 tt0 -120.12 -7.09 9.91 Favored 'General case' 0 C--O 1.204 -1.329 0 O-C-N 121.49 -0.756 . . . . 0.0 110.112 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.17 -50.75 70.58 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 120.695 -1.253 . . . . 0.0 110.218 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.447 ' OG ' HG22 ' A' ' 55' ' ' VAL . 2.4 p -65.5 -45.88 81.86 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.963 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.951 HD13 ' HG3' ' A' ' 58' ' ' GLU . 68.0 mt -68.11 -28.02 39.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 121.509 -0.744 . . . . 0.0 109.292 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.569 ' C ' HD23 ' A' ' 117' ' ' LEU . 9.3 tt -68.52 -35.8 77.98 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.552 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -64.41 -47.18 80.14 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.17 -24.5 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -70.75 -43.75 68.19 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.33 -0.856 . . . . 0.0 109.72 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -73.14 -30.55 63.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.415 -0.803 . . . . 0.0 108.941 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.547 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 45.8 t80 -65.32 -49.17 70.45 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -69.95 -29.76 66.97 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.689 -0.632 . . . . 0.0 110.003 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -42.96 99.5 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' A' ' 125' ' ' ARG . 22.0 tpp180 -66.12 -38.1 87.34 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.705 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 58.4 mt -60.21 -37.22 72.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 O-C-N 121.57 -0.706 . . . . 0.0 109.186 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.8 m -68.15 -36.94 80.47 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.487 -0.758 . . . . 0.0 109.25 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 128' ' ' LEU . 23.6 tp -64.87 -47.25 78.57 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.438 ' HB2' ' HE2' ' A' ' 36' ' ' PHE . 24.4 t80 -59.56 -36.42 76.17 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.61 -0.681 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.418 ' CD1' HD11 ' A' ' 66' ' ' LEU . 60.0 mt -67.16 -41.86 85.28 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.06 -19.25 60.67 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.327 -0.858 . . . . 0.0 109.713 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.5 -48.04 20.8 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.31 -0.869 . . . . 0.0 109.174 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -84.46 3.14 37.63 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.783 -0.573 . . . . 0.0 109.657 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 3.7 mptp? 60.21 39.56 19.08 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 63.13 52.77 2.43 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.873 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 14.1 m -77.5 163.53 63.48 Favored Pre-proline 0 C--O 1.217 -0.607 0 O-C-N 121.461 -0.775 . . . . 0.0 109.273 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -68.89 -43.47 3.45 Favored 'Trans proline' 0 C--O 1.216 -0.583 0 O-C-N 123.784 1.413 . . . . 0.0 111.026 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.65 -38.42 80.44 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.372 -0.83 . . . . 0.0 108.83 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.45 ' HA ' ' OD2' ' A' ' 32' ' ' ASP . . . -59.8 -39.71 85.9 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.597 -0.689 . . . . 0.0 109.407 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.525 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.5 m95 -71.31 -31.89 67.96 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.513 -0.742 . . . . 0.0 109.976 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 24' ' ' ILE . 14.4 tm-20 -66.18 -48.33 71.07 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.316 -0.865 . . . . 0.0 109.085 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.19 -40.8 87.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.066 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 126' ' ' ILE . 70.7 t -68.06 -31.38 51.6 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 121.625 -0.672 . . . . 0.0 109.478 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 23.7 ttp85 -67.38 -47.22 71.0 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.45 -0.782 . . . . 0.0 109.122 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.24 72.31 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -73.22 -31.5 64.19 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.777 -0.577 . . . . 0.0 109.844 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 143' ' ' VAL . 19.6 mm -79.01 -34.11 16.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 121.289 -0.882 . . . . 0.0 109.6 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.53 ' HA ' HD13 ' A' ' 18' ' ' LEU . 27.3 ttm -73.26 -37.01 66.47 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -72.49 -48.54 39.83 Favored 'General case' 0 C--O 1.209 -1.041 0 O-C-N 121.69 -0.631 . . . . 0.0 109.357 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.627 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 88.9 p -63.76 -38.32 90.67 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.795 -0.565 . . . . 0.0 109.75 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.621 ' HB3' HD21 ' A' ' 15' ' ' LEU . 21.9 t80 -72.06 -37.43 69.65 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.493 -0.754 . . . . 0.0 109.8 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 87.7 p -69.22 -35.63 76.39 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 108.742 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.719 HD22 ' HG3' ' A' ' 40' ' ' GLN . 45.3 mt -64.39 -39.15 93.31 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.591 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 73.8 m -72.43 -30.1 64.31 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.69 -0.631 . . . . 0.0 110.198 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.637 HG21 ' HB2' ' A' ' 11' ' ' SER . 80.4 p -98.09 0.9 46.99 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.376 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -85.63 1.71 48.1 Favored 'General case' 0 C--O 1.212 -0.918 0 O-C-N 121.04 -1.037 . . . . 0.0 110.301 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 154' ' ' SER . 4.5 mm? -51.47 -36.56 44.81 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.168 -0.958 . . . . 0.0 110.595 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.596 ' HG3' ' HG2' ' A' ' 159' ' ' GLU . 22.7 pt20 -73.91 -30.47 62.6 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.408 -0.807 . . . . 0.0 110.391 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.596 ' HG2' ' HG3' ' A' ' 158' ' ' GLN . 8.0 mm-40 -99.01 0.14 43.24 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.241 -0.912 . . . . 0.0 110.816 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 46.9 m -85.84 72.16 10.55 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 121.299 -0.876 . . . . 0.0 109.594 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.32 178.5 2.36 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.551 -0.718 . . . . 0.0 109.082 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -91.24 -101.2 0.11 Allowed 'General case' 0 C--O 1.216 -0.659 0 O-C-N 120.973 -1.079 . . . . 0.0 109.298 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 64.9 p 179.45 177.14 0.59 Allowed 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.227 -0.921 . . . . 0.0 109.556 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -124.68 50.33 1.73 Allowed 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.484 -0.76 . . . . 0.0 108.994 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 CA--C 1.535 0.365 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.556 -179.773 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.612 ' CB ' HG21 ' A' ' 103' ' ' VAL . 25.1 p . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.465 0.65 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.656 ' C ' HD12 ' A' ' 3' ' ' LEU . 37.3 m-20 -138.4 86.98 2.2 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.677 ' HB2' ' CD ' ' A' ' 4' ' ' PRO . 7.7 mp -123.94 -73.39 0.01 OUTLIER Pre-proline 0 C--O 1.215 -0.713 0 O-C-N 121.566 -0.708 . . . . 0.0 109.563 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.677 ' CD ' ' HB2' ' A' ' 3' ' ' LEU . 43.6 Cg_endo -69.21 145.31 59.9 Favored 'Trans proline' 0 C--N 1.357 1.0 0 O-C-N 123.208 1.109 . . . . 0.0 110.333 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -86.94 66.01 9.23 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.3 p -148.01 65.65 1.1 Allowed 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.412 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 13.2 m170 -72.6 167.79 19.98 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.333 -0.854 . . . . 0.0 109.583 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 p 179.43 169.27 1.07 Allowed 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.694 -0.629 . . . . 0.0 109.456 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.6 tp -117.78 104.99 11.5 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.71 -25.53 13.26 Favored Glycine 0 C--O 1.212 -1.243 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -63.3 -37.7 88.27 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.299 -1.118 . . . . 0.0 109.977 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -71.77 -36.59 70.41 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.397 -0.814 . . . . 0.0 109.476 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 32.0 mmt180 -75.19 -36.61 61.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.561 -0.712 . . . . 0.0 109.727 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.465 HG23 ' CE1' ' A' ' 84' ' ' PHE . 94.3 m -69.14 -45.68 69.52 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.313 -0.867 . . . . 0.0 109.377 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 151' ' ' PHE . 88.4 mt -68.99 -37.97 79.05 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.709 -0.62 . . . . 0.0 110.41 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.499 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 18.1 ptm -66.39 -30.99 71.49 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.0 -1.063 . . . . 0.0 109.225 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 84' ' ' PHE . 49.8 mt -66.35 -40.9 90.11 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD12 HD23 ' A' ' 15' ' ' LEU . 78.2 mt -60.66 -35.89 77.33 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.709 -0.619 . . . . 0.0 109.464 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.24 75.81 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.563 -0.711 . . . . 0.0 109.645 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -65.83 -33.38 75.73 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.465 -0.772 . . . . 0.0 109.941 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.8 mtp -63.86 -35.59 81.14 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.515 -0.74 . . . . 0.0 109.532 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -48.89 113.16 0.73 Allowed 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.846 -0.534 . . . . 0.0 109.988 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -96.35 -36.18 10.95 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.615 -0.678 . . . . 0.0 109.36 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.934 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.3 pt -113.31 170.53 4.31 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 CA-C-O 121.522 0.677 . . . . 0.0 109.844 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.0 m -96.13 148.97 22.13 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.652 -0.655 . . . . 0.0 109.235 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 tp -64.44 -31.51 72.75 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -68.4 -38.02 80.89 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -66.1 -28.15 68.59 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.934 ' SG ' HD12 ' A' ' 24' ' ' ILE . 20.3 m -108.71 50.21 0.79 Allowed 'General case' 0 C--O 1.219 -0.534 0 O-C-N 121.456 -0.777 . . . . 0.0 110.112 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -82.38 -0.99 48.48 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.203 -0.936 . . . . 0.0 109.825 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -79.27 -24.02 43.24 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.436 -0.79 . . . . 0.0 109.181 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.698 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.6 m-20 -112.41 25.82 11.14 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.679 -0.638 . . . . 0.0 109.91 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -60.5 123.18 16.58 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.111 -0.993 . . . . 0.0 109.21 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -151.86 126.53 9.54 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.527 -0.733 . . . . 0.0 109.041 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -91.67 114.24 26.72 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.673 ' CE1' ' HA ' ' A' ' 126' ' ' ILE . 79.7 m-85 -69.41 -43.72 72.84 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.529 -0.732 . . . . 0.0 110.267 -178.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.53 66.45 0.67 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 150' ' ' SER . 82.4 t80 -65.42 128.51 93.86 Favored Pre-proline 0 C--O 1.217 -0.623 0 O-C-N 121.662 -0.905 . . . . 0.0 108.834 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.643 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 53.0 Cg_endo -75.57 68.74 6.15 Favored 'Trans proline' 0 C--N 1.352 0.719 0 O-C-N 123.678 1.357 . . . . 0.0 110.827 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.572 ' OE1' HD22 ' A' ' 153' ' ' LEU . 20.2 tt0 -71.42 -17.07 62.41 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.415 -0.803 . . . . 0.0 109.662 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.5 -29.44 64.31 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.34 -0.85 . . . . 0.0 109.0 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.587 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 7.0 tp10 -99.69 31.44 3.21 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.413 -0.805 . . . . 0.0 109.284 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 38.7 m-85 -142.69 44.01 1.6 Allowed 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.338 -0.851 . . . . 0.0 109.083 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.73 -93.53 0.16 Allowed Glycine 0 C--O 1.216 -0.984 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -72.04 143.04 49.26 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.823 -0.81 . . . . 0.0 109.013 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 68.42 21.4 8.26 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.638 ' HB3' HG23 ' A' ' 52' ' ' THR . 60.3 m-85 -144.87 137.83 26.57 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.136 -0.977 . . . . 0.0 109.355 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.411 ' HG3' ' H ' ' A' ' 50' ' ' ALA . 16.9 pt20 -163.41 -153.52 0.24 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.599 -0.688 . . . . 0.0 109.152 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' O ' HD11 ' A' ' 53' ' ' ILE . 14.6 mptt -78.3 8.15 5.42 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.027 -1.046 . . . . 0.0 111.187 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' H ' ' HG3' ' A' ' 48' ' ' GLN . . . -139.88 12.67 2.46 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.008 -1.057 . . . . 0.0 110.387 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 50.4 mt-10 -125.21 -42.1 2.02 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 121.002 -1.061 . . . . 0.0 109.674 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.638 HG23 ' HB3' ' A' ' 47' ' ' PHE . 36.3 p -86.04 -1.28 57.21 Favored 'General case' 0 C--O 1.205 -1.289 0 O-C-N 121.666 -0.646 . . . . 0.0 110.331 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.794 HG21 ' HB2' ' A' ' 98' ' ' CYS . 36.2 mt -46.69 -50.86 40.81 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 120.946 -1.096 . . . . 0.0 111.014 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.97 -31.86 45.86 Favored 'Trans proline' 0 C--N 1.354 0.828 0 O-C-N 123.258 1.136 . . . . 0.0 110.252 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.631 HG11 ' CZ ' ' A' ' 43' ' ' PHE . 46.3 t -70.47 -47.22 66.75 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.583 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 35.0 mt -62.36 -31.44 72.09 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -66.01 -46.99 75.93 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.445 -0.784 . . . . 0.0 109.658 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 116' ' ' ILE . 30.1 tp10 -72.34 -30.15 64.48 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.304 -0.873 . . . . 0.0 109.842 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.7 ttt -67.27 -48.05 68.87 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.279 -0.888 . . . . 0.0 108.982 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.77 HG23 ' CD2' ' A' ' 88' ' ' LEU . 16.8 mt -71.81 -21.31 20.98 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.669 -0.644 . . . . 0.0 109.42 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -74.84 -36.09 62.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.66 -33.94 64.7 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 67' ' ' PHE . 82.5 mt -74.98 -29.09 21.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.631 ' HA ' HD13 ' A' ' 88' ' ' LEU . 23.1 t80 -64.94 -49.39 70.54 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 121.406 -0.809 . . . . 0.0 109.464 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.692 ' O ' HG23 ' A' ' 69' ' ' THR . 7.2 m120 -79.04 -32.21 44.88 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 121.534 -0.729 . . . . 0.0 109.745 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 130' ' ' LEU . 49.6 tp -61.89 -32.24 72.6 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.514 -0.742 . . . . 0.0 109.364 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 63' ' ' ILE . 16.8 m-85 -97.9 -25.1 15.12 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.611 -0.681 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.0 t -75.72 -20.09 58.6 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.295 -0.878 . . . . 0.0 109.835 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 65' ' ' ASN . 7.3 p -54.05 148.56 10.64 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.402 -0.811 . . . . 0.0 109.799 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.73 -26.53 68.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.609 -0.682 . . . . 0.0 109.817 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.1 p30 -73.76 -26.32 60.59 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.589 -0.695 . . . . 0.0 110.013 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' A' ' 67' ' ' PHE . 23.0 t -94.12 -31.92 13.97 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.214 -0.929 . . . . 0.0 109.495 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 67.2 m -63.47 -34.51 77.93 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.247 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.9 -27.35 33.45 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.39 85.28 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.586 -0.696 . . . . 0.0 110.029 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 23' ' ' LYS . 70.0 m95 -111.98 172.59 6.81 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.725 -0.609 . . . . 0.0 109.932 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.62 132.22 47.11 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -65.1 -28.29 69.34 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.495 -0.753 . . . . 0.0 110.619 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.7 m -79.24 -43.73 23.18 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.079 -1.013 . . . . 0.0 108.996 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.6 -35.66 81.25 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 81' ' ' LEU . 10.8 mt -72.87 -33.48 66.11 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -55.81 -52.38 64.2 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -63.98 -34.27 77.6 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.779 ' CE2' HD11 ' A' ' 88' ' ' LEU . 27.2 t80 -65.05 -31.19 72.29 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.751 -0.593 . . . . 0.0 109.773 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -73.19 -37.68 66.41 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.165 -0.959 . . . . 0.0 108.753 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.2 m -69.62 -35.69 75.48 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.509 -0.744 . . . . 0.0 109.768 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -73.63 -34.23 64.9 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 84' ' ' PHE . 77.1 mt -68.96 -44.2 73.43 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.644 -0.66 . . . . 0.0 109.654 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.539 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.3 t80 -74.94 -27.32 60.15 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.577 -0.702 . . . . 0.0 109.795 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -68.59 -50.48 51.3 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.14 -30.05 70.47 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 15.0 mt -68.33 -34.22 75.71 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.42 -0.8 . . . . 0.0 109.35 178.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -68.75 -42.16 77.91 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.454 -0.779 . . . . 0.0 109.076 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.56 -41.42 84.24 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.517 -0.739 . . . . 0.0 109.337 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 99' ' ' VAL . 79.8 mt -63.67 -33.18 75.05 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.724 -0.61 . . . . 0.0 109.705 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 100' ' ' ILE . 87.0 tt0 -74.17 -46.11 44.35 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 121.482 -0.761 . . . . 0.0 109.905 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.79 -42.01 57.58 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.693 -0.629 . . . . 0.0 109.978 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.794 ' HB2' HG21 ' A' ' 53' ' ' ILE . 76.3 m -62.76 -45.59 91.99 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 121.612 0.72 . . . . 0.0 109.17 177.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 95' ' ' LEU . 80.9 t -65.36 -35.97 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 O-C-N 121.927 -0.483 . . . . 0.0 110.814 -178.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 96' ' ' GLU . 76.7 mt -57.59 -53.89 38.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 O-C-N 121.27 -0.894 . . . . 0.0 109.958 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.641 ' HG3' ' CD2' ' A' ' 3' ' ' LEU . 72.0 mm-40 -78.49 -177.52 5.33 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 121.386 -0.821 . . . . 0.0 110.111 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.36 52.84 0.95 Allowed Glycine 0 C--O 1.216 -1.002 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.612 HG21 ' CB ' ' A' ' 1' ' ' CYS . 46.6 t -61.65 162.77 1.4 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 121.555 -0.968 . . . . 0.0 108.803 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.471 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -54.63 96.04 0.03 OUTLIER Glycine 0 CA--C 1.533 1.206 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.9 t -141.57 149.88 19.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 O-C-N 121.69 -0.889 . . . . 0.0 108.938 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.1 p -85.37 157.41 20.52 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 121.267 -0.895 . . . . 0.0 109.995 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -144.11 -47.48 0.27 Allowed 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.545 -0.722 . . . . 0.0 109.741 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.588 ' N ' ' HD2' ' A' ' 109' ' ' PRO . 34.2 m -53.58 -48.64 92.38 Favored Pre-proline 0 CA--C 1.543 0.7 0 O-C-N 121.683 -0.636 . . . . 0.0 110.946 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 108' ' ' THR . 39.6 Cg_endo -66.68 155.82 68.64 Favored 'Trans proline' 0 C--N 1.355 0.887 0 O-C-N 123.408 1.215 . . . . 0.0 111.099 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.518 ' N ' HD22 ' A' ' 110' ' ' LEU . 3.9 mm? -78.26 -8.82 58.82 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.634 -0.666 . . . . 0.0 110.524 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.546 ' HA ' ' HB3' ' A' ' 114' ' ' ASP . 23.2 ptm -51.9 -30.49 24.37 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.218 -0.926 . . . . 0.0 110.557 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -52.11 -55.32 21.55 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.427 -0.796 . . . . 0.0 109.835 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 33.1 tt0 -88.35 -27.53 21.59 Favored 'General case' 0 C--O 1.209 -1.079 0 O-C-N 121.476 -0.765 . . . . 0.0 110.062 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.546 ' HB3' ' HA ' ' A' ' 111' ' ' MET . 35.7 t0 -58.55 -49.12 78.57 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.216 -0.928 . . . . 0.0 110.233 -178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.587 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 12.7 p -62.55 -43.64 98.32 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.384 -0.823 . . . . 0.0 109.926 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.615 HG12 ' HA ' ' A' ' 55' ' ' VAL . 64.6 mt -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 O-C-N 121.577 -0.702 . . . . 0.0 109.137 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.8 tt -65.48 -34.92 79.4 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.75 -48.7 70.98 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.8 t -65.31 -26.76 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 120' ' ' ARG . 7.3 tmm_? -68.08 -48.48 65.43 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.26 -0.9 . . . . 0.0 109.711 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 118' ' ' ALA . 21.9 pttp -69.46 -25.46 64.1 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.247 -0.908 . . . . 0.0 109.345 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.729 ' CE2' HD11 ' A' ' 126' ' ' ILE . 76.2 t80 -67.87 -52.6 34.69 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.451 -0.781 . . . . 0.0 109.118 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.411 ' HA ' HD12 ' A' ' 126' ' ' ILE . 28.0 m-85 -67.87 -27.13 66.41 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.639 -0.663 . . . . 0.0 109.783 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.33 -42.72 99.0 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -64.88 -36.77 85.42 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.729 HD11 ' CE2' ' A' ' 122' ' ' TYR . 61.8 mt -64.53 -37.93 81.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 O-C-N 121.476 -0.765 . . . . 0.0 109.419 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 21.7 m -66.94 -40.86 87.69 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.497 -0.752 . . . . 0.0 109.903 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.3 mm? -71.39 -35.47 71.05 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.454 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 46.1 t80 -64.41 -39.68 94.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.324 -0.86 . . . . 0.0 108.938 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.53 HD22 ' CE2' ' A' ' 140' ' ' TRP . 41.9 mt -65.21 -44.57 87.9 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.3 -23.68 63.84 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.257 -0.902 . . . . 0.0 109.816 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.37 -48.38 50.46 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.323 -0.861 . . . . 0.0 109.141 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.434 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.5 mptt -82.77 2.76 32.36 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.877 -0.514 . . . . 0.0 109.809 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? 61.86 37.82 15.09 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.434 -0.791 . . . . 0.0 109.871 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 68.9 m-85 60.6 51.87 4.83 Favored 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.664 -0.647 . . . . 0.0 110.042 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.448 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -80.07 161.73 64.54 Favored Pre-proline 0 C--O 1.218 -0.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.455 ' O ' HD11 ' A' ' 24' ' ' ILE . 42.5 Cg_endo -68.72 -35.43 16.41 Favored 'Trans proline' 0 C--O 1.217 -0.568 0 O-C-N 123.761 1.401 . . . . 0.0 110.978 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.36 -38.54 68.52 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.388 -0.82 . . . . 0.0 109.065 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.434 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.13 -39.07 93.24 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.53 ' CE2' HD22 ' A' ' 130' ' ' LEU . 31.4 m95 -70.02 -32.88 71.25 Favored 'General case' 0 C--O 1.212 -0.891 0 O-C-N 121.57 -0.707 . . . . 0.0 109.742 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -63.52 -40.57 97.39 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.324 -0.86 . . . . 0.0 108.932 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.698 HG21 ' O ' ' A' ' 32' ' ' ASP . 59.8 t -65.24 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 147' ' ' ILE . 98.7 t -69.87 -23.52 25.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 121.735 -0.603 . . . . 0.0 109.681 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.489 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 3.7 tmm_? -70.87 -48.28 54.7 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.147 -0.97 . . . . 0.0 108.728 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.423 ' HB2' ' NH2' ' A' ' 144' ' ' ARG . . . -67.66 -32.12 72.58 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.66 -0.65 . . . . 0.0 109.299 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -74.3 -31.46 62.5 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 143' ' ' VAL . 14.9 mm -81.0 -32.06 12.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 121.092 -1.005 . . . . 0.0 109.683 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 29.0 ttm -73.95 -38.98 64.07 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 149' ' ' ARG . 0.9 OUTLIER -71.07 -49.69 41.92 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.715 -0.616 . . . . 0.0 109.421 179.34 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.3 m -59.94 -44.57 94.3 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.773 ' HB3' HD21 ' A' ' 15' ' ' LEU . 28.9 t80 -62.81 -42.21 99.62 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.526 -0.734 . . . . 0.0 109.177 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 28.1 t -63.84 -34.1 77.18 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.461 -0.774 . . . . 0.0 109.381 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.572 HD22 ' OE1' ' A' ' 40' ' ' GLN . 84.7 mt -69.74 -37.15 76.38 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.691 -0.63 . . . . 0.0 109.563 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 11.1 m -70.27 -25.72 63.48 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 121.584 -0.697 . . . . 0.0 109.835 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.509 HG21 ' CE1' ' A' ' 151' ' ' PHE . 69.2 p -104.19 1.39 30.58 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.464 -0.773 . . . . 0.0 109.726 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 152' ' ' SER . 43.8 t30 -81.39 3.41 24.52 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.189 -0.945 . . . . 0.0 110.57 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 47' ' ' PHE . 4.1 mm? -54.56 -10.02 0.38 Allowed 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.09 -1.006 . . . . 0.0 111.712 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -55.04 -27.14 42.34 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.038 -1.039 . . . . 0.0 110.212 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.35 -13.64 51.72 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.651 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.539 ' O ' ' C ' ' A' ' 161' ' ' LEU . 32.2 t -66.64 -11.52 54.08 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.342 -0.849 . . . . 0.0 110.274 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' A' ' 160' ' ' SER . 94.6 mt 1.26 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.341 0.656 . . . . 0.0 112.341 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -120.62 51.79 1.21 Allowed 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 49.8 p -86.14 103.49 14.84 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 121.473 -0.767 . . . . 0.0 108.984 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -92.05 60.06 3.71 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.457 -0.777 . . . . 0.0 109.26 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.264 -179.784 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.632 ' HB2' HG21 ' A' ' 103' ' ' VAL . 3.6 t . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.617 0.722 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -150.49 85.92 1.39 Allowed 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.545 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.6 mm? -70.12 -56.97 6.53 Favored Pre-proline 0 C--O 1.215 -0.717 0 O-C-N 121.505 -0.747 . . . . 0.0 109.858 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 47.9 Cg_endo -74.63 160.13 41.64 Favored 'Trans proline' 0 C--N 1.354 0.834 0 O-C-N 123.449 1.236 . . . . 0.0 110.649 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -125.81 89.75 3.08 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.502 -0.749 . . . . 0.0 109.398 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 p -97.71 -70.16 0.73 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.38 -0.825 . . . . 0.0 109.414 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.49 165.5 25.36 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.451 -0.78 . . . . 0.0 109.496 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 t -160.66 131.48 5.46 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.529 -0.732 . . . . 0.0 109.602 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.9 mt -142.97 40.03 1.49 Allowed 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.33 -62.03 0.67 Allowed Glycine 0 C--O 1.216 -0.981 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.607 ' HB2' HG21 ' A' ' 155' ' ' THR . 67.6 p -63.81 -39.62 94.68 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.573 -0.957 . . . . 0.0 109.87 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -67.94 -35.37 78.32 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.372 -0.83 . . . . 0.0 109.434 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' HG3' ' HG2' ' A' ' 87' ' ' GLU . 11.4 tpp85 -71.14 -37.16 72.28 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.381 -0.824 . . . . 0.0 109.221 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.4 m -62.76 -45.75 91.22 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.494 -0.754 . . . . 0.0 109.022 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 151' ' ' PHE . 98.8 mt -68.82 -32.31 71.93 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.716 -0.615 . . . . 0.0 109.448 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.2 ttp -64.09 -38.94 92.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.778 HD13 ' HA ' ' A' ' 84' ' ' PHE . 92.1 mt -60.7 -43.96 97.14 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.729 HD12 HD23 ' A' ' 15' ' ' LEU . 48.9 mt -57.89 -42.15 84.06 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.828 -0.545 . . . . 0.0 109.902 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.54 96.59 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.523 -0.736 . . . . 0.0 109.71 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -67.08 -32.12 73.08 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.942 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.486 ' HG2' ' HB3' ' A' ' 80' ' ' LEU . 23.8 mtm -71.98 -23.92 61.5 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.336 -0.853 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -41.59 127.68 3.12 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.586 -0.696 . . . . 0.0 110.757 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -102.8 -28.36 12.12 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.835 -0.54 . . . . 0.0 110.006 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.762 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -143.49 168.86 11.85 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 O-C-N 121.268 -0.895 . . . . 0.0 110.812 -177.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -84.09 139.61 32.36 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 30' ' ' LEU . 56.2 tp -56.72 -38.4 72.29 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.668 -0.645 . . . . 0.0 109.416 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.767 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 96.7 m-85 -59.29 -41.56 89.22 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.91 -34.35 74.54 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.762 ' SG ' HD12 ' A' ' 24' ' ' ILE . 73.6 m -99.32 50.55 0.94 Allowed 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.649 -0.657 . . . . 0.0 109.551 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.767 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -81.75 4.26 22.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 179.14 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -94.76 -26.7 16.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.268 -0.895 . . . . 0.0 109.262 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.716 ' O ' HG21 ' A' ' 142' ' ' VAL . 42.3 m-20 -112.78 22.93 13.99 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.444 -0.785 . . . . 0.0 110.353 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.584 ' HD3' HD12 ' A' ' 30' ' ' LEU . 40.8 ptt85 -86.3 110.11 19.42 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.895 -1.128 . . . . 0.0 109.39 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -137.3 136.29 37.87 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.437 -0.79 . . . . 0.0 109.239 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.28 119.58 21.83 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -73.47 -52.31 14.11 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.575 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.13 64.86 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 74.5 t80 -64.12 129.25 93.89 Favored Pre-proline 0 C--O 1.217 -0.611 0 O-C-N 121.565 -0.962 . . . . 0.0 108.811 178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.655 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.4 Cg_endo -75.42 66.28 6.38 Favored 'Trans proline' 0 C--N 1.351 0.664 0 O-C-N 123.712 1.375 . . . . 0.0 110.977 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.734 ' HG3' HD22 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -71.8 -19.74 61.95 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.385 -0.822 . . . . 0.0 109.99 179.627 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -58.45 -28.29 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.151 -0.968 . . . . 0.0 108.921 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HG3' ' HB3' ' A' ' 115' ' ' SER . 6.1 tp10 -98.92 33.71 2.28 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 177.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 20.8 m-85 -142.27 -77.46 0.26 Allowed 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.694 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -53.23 -26.62 29.42 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 8.4 m120 -113.39 140.56 47.96 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.475 -1.015 . . . . 0.0 109.659 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 8.6 mm100 70.15 16.02 7.48 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.927 -0.483 . . . . 0.0 111.37 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.53 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 94.8 m-85 -152.23 112.61 4.09 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.007 -1.058 . . . . 0.0 109.265 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -167.52 36.59 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.217 -0.927 . . . . 0.0 110.231 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 22.7 tptm -177.16 70.5 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.566 0 O-C-N 121.243 -0.911 . . . . 0.0 108.783 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.79 36.64 24.86 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.546 -0.721 . . . . 0.0 109.603 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -106.49 -39.46 5.86 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.175 -0.953 . . . . 0.0 109.97 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 12.2 t -95.26 11.43 32.51 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 121.628 -0.67 . . . . 0.0 110.515 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.633 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 83.1 mt -56.9 -46.16 99.89 Favored Pre-proline 0 C--O 1.216 -0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.7 Cg_endo -64.15 -29.59 65.01 Favored 'Trans proline' 0 C--N 1.357 1.009 0 O-C-N 123.201 1.106 . . . . 0.0 110.19 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.649 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.5 t -73.76 -34.54 40.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 22.0 mt -68.05 -38.46 82.5 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 121.451 -0.781 . . . . 0.0 109.071 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.415 ' CD2' ' HB3' ' A' ' 96' ' ' GLU . 55.6 t-80 -65.59 -48.63 71.67 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.623 -0.673 . . . . 0.0 109.784 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.579 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.7 mp0 -71.77 -28.21 63.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.315 -0.866 . . . . 0.0 110.253 -179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.451 ' HG3' HG11 ' A' ' 119' ' ' VAL . 10.2 ttt -71.59 -39.22 70.67 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.021 -1.05 . . . . 0.0 109.059 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.606 HG23 HD22 ' A' ' 88' ' ' LEU . 12.5 mt -73.11 -22.05 19.38 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.392 -0.818 . . . . 0.0 109.127 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.404 HE21 HD13 ' A' ' 92' ' ' LEU . 66.6 mm-40 -70.01 -38.72 76.02 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 175.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -69.58 -38.23 77.26 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.796 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.493 HG23 ' CE1' ' A' ' 67' ' ' PHE . 78.5 mt -70.97 -34.95 57.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.303 -0.873 . . . . 0.0 108.71 178.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.618 ' HA ' HD13 ' A' ' 88' ' ' LEU . 46.6 t80 -60.17 -44.12 95.29 Favored 'General case' 0 C--O 1.213 -0.86 0 O-C-N 121.652 -0.655 . . . . 0.0 109.649 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.731 ' O ' HG23 ' A' ' 69' ' ' THR . 43.0 t30 -78.45 -38.7 40.59 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.919 -0.713 . . . . 0.0 109.902 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD11 HD11 ' A' ' 130' ' ' LEU . 28.9 tp -58.81 -32.44 69.36 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.427 -0.796 . . . . 0.0 109.553 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.493 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.4 m-85 -95.2 -26.14 16.1 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.894 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.8 t -75.54 -18.41 59.79 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.289 -0.882 . . . . 0.0 110.221 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 65' ' ' ASN . 28.5 p -52.39 147.21 8.34 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.355 -0.841 . . . . 0.0 109.888 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -60.18 -25.33 65.47 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.485 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.3 m-20 -74.09 -44.2 54.91 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.44 -0.787 . . . . 0.0 109.562 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.469 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 16.6 t -74.3 -31.06 62.35 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.381 -0.824 . . . . 0.0 109.785 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.511 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 68.6 m -65.35 -32.53 74.22 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.55 -0.718 . . . . 0.0 109.42 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.73 -26.83 25.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.51 82.34 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.705 -0.622 . . . . 0.0 109.893 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -116.0 167.86 10.59 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.705 -0.622 . . . . 0.0 109.51 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -65.6 132.09 47.97 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.53 -27.72 69.35 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.487 -0.758 . . . . 0.0 110.339 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -77.88 -44.46 27.07 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.232 -0.917 . . . . 0.0 108.723 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 21' ' ' MET . 81.3 mt -62.86 -38.85 92.47 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -70.7 -33.48 70.94 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.74 -49.87 71.94 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 83' ' ' LYS . 14.4 mmmm -65.87 -36.03 82.28 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.778 ' HA ' HD13 ' A' ' 17' ' ' LEU . 31.6 t80 -64.53 -28.46 69.66 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 121.732 -0.605 . . . . 0.0 109.866 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -76.29 -43.34 42.0 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.017 -1.052 . . . . 0.0 108.988 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -66.31 -32.08 73.26 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.721 -0.612 . . . . 0.0 109.571 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -77.69 -34.02 53.04 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.398 -0.814 . . . . 0.0 109.08 178.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.727 HD11 ' CE2' ' A' ' 84' ' ' PHE . 43.4 mt -65.22 -39.91 93.38 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.341 -0.849 . . . . 0.0 108.895 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.525 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -75.7 -32.96 60.3 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.574 -0.704 . . . . 0.0 109.916 179.298 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -64.48 -47.57 78.46 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.234 -0.916 . . . . 0.0 109.035 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -69.12 -25.34 64.35 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.5 mt -72.09 -34.44 68.66 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 178.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -73.77 -35.49 64.98 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.303 -0.873 . . . . 0.0 109.088 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -68.64 -43.44 76.28 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 56' ' ' LEU . 62.0 mt -63.98 -47.36 80.68 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.025 0.44 . . . . 0.0 110.39 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.464 ' O ' HG13 ' A' ' 100' ' ' ILE . 21.7 pt-20 -69.52 -23.54 63.62 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.52 -0.737 . . . . 0.0 110.488 -179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 100' ' ' ILE . . . -53.31 -43.95 68.0 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.336 -0.852 . . . . 0.0 109.521 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.509 ' SG ' HD13 ' A' ' 53' ' ' ILE . 95.7 m -61.84 -44.45 96.82 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.554 -0.716 . . . . 0.0 109.338 177.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.555 HG22 HG11 ' A' ' 105' ' ' VAL . 19.8 t -63.52 -34.36 67.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.963 -0.461 . . . . 0.0 110.199 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 97' ' ' ALA . 79.6 mt -65.81 -57.8 9.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 O-C-N 121.27 -0.893 . . . . 0.0 109.753 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -70.91 174.65 5.87 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.617 -0.677 . . . . 0.0 109.95 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.47 47.53 3.06 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.632 HG21 ' HB2' ' A' ' 1' ' ' CYS . 3.4 t -84.93 169.77 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 O-C-N 121.549 -0.971 . . . . 0.0 108.391 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.47 ' H ' HG12 ' A' ' 103' ' ' VAL . . . -64.74 93.26 0.15 Allowed Glycine 0 C--O 1.214 -1.15 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.555 HG11 HG22 ' A' ' 99' ' ' VAL . 36.2 t -133.49 -115.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.608 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.468 ' N ' HG12 ' A' ' 105' ' ' VAL . 31.8 p -58.1 120.02 7.85 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.233 -0.917 . . . . 0.0 109.438 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -176.47 -40.22 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.734 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 22.0 p -58.05 168.61 1.13 Allowed Pre-proline 0 CA--C 1.54 0.594 0 O-C-N 121.722 -0.611 . . . . 0.0 110.283 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.734 ' HD2' ' HB ' ' A' ' 108' ' ' THR . 33.6 Cg_endo -61.0 174.41 1.81 Allowed 'Trans proline' 0 C--N 1.353 0.785 0 O-C-N 123.775 1.408 . . . . 0.0 111.5 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.4 mt -42.62 -22.11 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.966 -0.459 . . . . 0.0 112.127 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.474 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 18.7 ptm -51.67 -25.18 6.71 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.231 -0.918 . . . . 0.0 110.374 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -57.56 -33.67 68.38 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.269 -0.895 . . . . 0.0 109.758 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -89.3 -27.85 20.26 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 121.337 -0.852 . . . . 0.0 109.211 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.15 -32.24 71.96 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.359 -0.838 . . . . 0.0 109.502 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.585 ' HB3' ' HG3' ' A' ' 42' ' ' GLU . 2.3 p -66.4 -45.06 81.23 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.38 -0.825 . . . . 0.0 108.908 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.649 HG12 ' HA ' ' A' ' 55' ' ' VAL . 79.1 mt -67.63 -36.52 76.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 117' ' ' LEU . 19.6 mt -65.03 -33.31 75.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.783 -0.573 . . . . 0.0 109.649 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.655 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -65.9 -45.98 79.99 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.451 HG11 ' HG3' ' A' ' 59' ' ' MET . 77.5 t -65.77 -28.77 44.96 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.5 -42.91 77.92 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.169 -0.957 . . . . 0.0 109.634 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 121' ' ' LYS . 3.2 tppp? -72.96 -31.61 64.68 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.436 -0.79 . . . . 0.0 109.1 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.61 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . 55.9 t80 -64.12 -47.81 78.54 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.601 -0.687 . . . . 0.0 109.368 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -71.74 -28.39 63.63 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.794 -0.566 . . . . 0.0 109.987 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -63.34 -40.56 97.65 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -67.38 -39.65 85.66 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.525 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.2 mt -60.49 -38.29 77.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 121.569 -0.707 . . . . 0.0 109.172 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 130' ' ' LEU . 56.0 m -64.81 -38.21 90.2 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 109.159 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.484 HD12 ' NZ ' ' A' ' 131' ' ' LYS . 14.5 tp -64.39 -44.33 91.67 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -58.33 -37.14 74.54 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.779 -0.575 . . . . 0.0 109.485 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' A' ' 140' ' ' TRP . 32.3 mt -70.15 -42.41 72.58 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 121.695 -0.628 . . . . 0.0 109.554 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.484 ' NZ ' HD12 ' A' ' 128' ' ' LEU . 9.8 mtmp? -71.0 -20.23 62.44 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.737 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -75.9 -51.38 12.61 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.211 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 5.3 mptp? -81.03 4.31 20.14 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.873 -0.517 . . . . 0.0 109.793 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.45 38.91 22.47 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.684 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 90.2 m-85 62.05 52.57 3.25 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.691 -0.631 . . . . 0.0 110.286 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.462 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.9 m -79.94 162.25 62.96 Favored Pre-proline 0 C--O 1.218 -0.577 0 O-C-N 121.475 -0.765 . . . . 0.0 109.329 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.3 Cg_endo -69.61 -36.64 10.82 Favored 'Trans proline' 0 C--N 1.35 0.609 0 O-C-N 123.833 1.439 . . . . 0.0 111.221 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.94 -39.31 76.16 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.351 -0.843 . . . . 0.0 109.077 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -65.6 -41.26 92.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.479 -0.763 . . . . 0.0 109.035 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.484 ' CE2' HD22 ' A' ' 130' ' ' LEU . 18.4 m95 -67.3 -38.67 85.39 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.513 -0.742 . . . . 0.0 109.939 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.34 -36.71 81.98 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.412 -0.805 . . . . 0.0 109.375 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.716 HG21 ' O ' ' A' ' 32' ' ' ASP . 41.5 t -67.54 -38.89 81.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 139' ' ' ALA . 93.8 t -71.89 -23.75 22.35 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.433 ' HD2' ' C ' ' A' ' 144' ' ' ARG . 4.5 tmm_? -67.72 -48.84 65.37 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.54 75.94 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.662 -0.649 . . . . 0.0 109.413 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.08 -35.3 76.36 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.54 -0.725 . . . . 0.0 109.915 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.1 mm -77.27 -31.89 18.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.459 -0.776 . . . . 0.0 109.655 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.509 ' HG3' HD22 ' A' ' 15' ' ' LEU . 34.6 ttm -73.09 -37.59 66.7 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.392 -0.818 . . . . 0.0 108.84 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 149' ' ' ARG . 17.4 tpp180 -71.03 -49.86 40.31 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 121.611 -0.681 . . . . 0.0 109.357 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.56 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 73.5 p -61.2 -42.03 97.87 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.962 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.921 ' HB3' HD21 ' A' ' 15' ' ' LEU . 64.6 t80 -68.46 -34.89 76.75 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.383 -0.823 . . . . 0.0 109.645 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 32.5 t -68.82 -39.0 80.24 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 108.797 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.734 HD22 ' HG3' ' A' ' 40' ' ' GLN . 32.2 mt -63.28 -41.15 98.98 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.613 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 68.9 m -66.12 -36.51 83.35 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.982 -0.449 . . . . 0.0 110.363 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 11' ' ' SER . 69.2 p -94.79 0.81 55.22 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.184 -0.947 . . . . 0.0 110.652 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 152' ' ' SER . 47.4 t30 -82.56 -2.86 54.9 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 121.077 -1.015 . . . . 0.0 110.969 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.694 HD11 ' HA2' ' A' ' 44' ' ' GLY . 2.2 mm? -65.57 -40.49 92.84 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 120.666 -1.271 . . . . 0.0 109.539 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.409 ' O ' HD13 ' A' ' 161' ' ' LEU . 66.8 tp60 -81.16 -21.87 39.39 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.397 -0.814 . . . . 0.0 109.281 178.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.54 -2.01 56.51 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.377 -0.827 . . . . 0.0 110.575 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.691 ' C ' HD12 ' A' ' 161' ' ' LEU . 29.6 t -91.67 67.19 5.4 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 121.233 -0.917 . . . . 0.0 109.938 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 160' ' ' SER . 8.6 mp -126.9 80.01 1.92 Allowed 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -125.34 -66.46 0.95 Allowed 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.453 -0.779 . . . . 0.0 110.109 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.1 t -103.81 140.55 37.5 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.19 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -117.59 53.1 0.95 Allowed 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.757 -179.614 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.641 ' HB2' HG21 ' A' ' 103' ' ' VAL . 3.8 t . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.645 0.736 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -143.47 68.81 1.29 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.5 mm? -61.32 -54.58 51.68 Favored Pre-proline 0 C--O 1.217 -0.644 0 O-C-N 121.496 -0.752 . . . . 0.0 109.67 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 44.7 Cg_endo -73.4 109.55 2.87 Favored 'Trans proline' 0 C--N 1.354 0.821 0 O-C-N 123.559 1.294 . . . . 0.0 110.2 179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -102.05 87.59 3.13 Favored 'General case' 0 C--O 1.219 -0.551 0 O-C-N 121.419 -0.801 . . . . 0.0 109.1 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.8 p -92.16 -58.37 2.41 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.08 157.33 34.81 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.444 -0.785 . . . . 0.0 109.194 178.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.3 p -155.41 107.83 2.68 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.475 -0.766 . . . . 0.0 109.67 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.644 HD12 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -150.06 43.16 0.87 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.469 -0.77 . . . . 0.0 109.118 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.6 -50.98 1.15 Allowed Glycine 0 C--O 1.216 -1.026 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.914 ' HB3' HG21 ' A' ' 155' ' ' THR . 55.3 m -62.91 -40.2 96.87 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.634 -0.921 . . . . 0.0 109.765 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HB3' HD13 ' A' ' 9' ' ' LEU . 9.7 tpt180 -64.23 -37.73 88.53 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 121.531 -0.73 . . . . 0.0 109.3 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' HG2' HD12 ' A' ' 9' ' ' LEU . 38.5 mmm-85 -67.82 -31.26 70.99 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.281 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -62.96 -44.32 96.36 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.939 HD21 ' HB3' ' A' ' 151' ' ' PHE . 82.9 mt -70.57 -33.6 71.27 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.733 -0.604 . . . . 0.0 109.577 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttp -64.15 -37.55 87.87 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.345 -0.847 . . . . 0.0 108.846 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.784 HD13 ' HA ' ' A' ' 84' ' ' PHE . 78.3 mt -63.06 -45.61 91.38 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 15' ' ' LEU . 76.4 mt -57.38 -39.32 75.81 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.865 -0.522 . . . . 0.0 109.961 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.3 95.1 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.455 -0.778 . . . . 0.0 109.892 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -66.89 -24.65 66.13 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.449 -0.782 . . . . 0.0 110.382 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.534 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 19.6 mtm -77.47 -19.96 55.15 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 121.15 -0.969 . . . . 0.0 110.599 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.6 ttp85 -50.35 124.59 10.8 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.094 -1.004 . . . . 0.0 110.791 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HD2' ' O ' ' A' ' 21' ' ' MET . 3.3 mptm? -103.08 -34.15 8.99 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.886 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.5 pt -130.81 171.19 18.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 CA-C-O 121.571 0.701 . . . . 0.0 110.462 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.3 m -91.3 145.47 24.62 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD21 ' HE ' ' A' ' 33' ' ' ARG . 59.9 tp -59.9 -35.66 75.34 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.581 -0.699 . . . . 0.0 109.14 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.727 ' HA ' ' CD1' ' A' ' 30' ' ' LEU . 85.6 m-85 -63.5 -40.51 97.27 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 t -60.19 -28.01 67.62 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.886 ' SG ' HD12 ' A' ' 24' ' ' ILE . 55.4 m -107.02 51.96 0.73 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.66 -0.65 . . . . 0.0 109.691 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.727 ' CD1' ' HA ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -80.78 3.7 21.52 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.276 -0.89 . . . . 0.0 109.979 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -88.17 -30.1 20.02 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.278 -0.889 . . . . 0.0 108.657 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.669 ' O ' HG21 ' A' ' 142' ' ' VAL . 3.4 m-20 -111.33 18.04 19.62 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.792 -0.568 . . . . 0.0 110.023 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HE ' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -71.36 107.62 4.4 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.005 -1.06 . . . . 0.0 108.82 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -144.36 129.62 18.75 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.7 129.36 34.41 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.514 -0.741 . . . . 0.0 109.202 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 61.7 m-85 -80.19 -34.42 37.45 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.465 -0.772 . . . . 0.0 109.761 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.05 77.07 1.25 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.476 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 88.7 t80 -76.91 130.16 76.67 Favored Pre-proline 0 C--O 1.218 -0.593 0 O-C-N 121.515 -0.991 . . . . 0.0 109.184 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.566 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.2 Cg_endo -80.75 70.48 7.51 Favored 'Trans proline' 0 C--N 1.352 0.712 0 O-C-N 123.743 1.391 . . . . 0.0 110.955 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.646 ' OE1' HD22 ' A' ' 153' ' ' LEU . 13.2 tt0 -72.0 -16.93 62.08 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.325 -0.86 . . . . 0.0 109.615 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -56.43 -33.37 65.79 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 121.246 -0.908 . . . . 0.0 108.671 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.657 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 1.3 tp10 -92.37 29.02 1.78 Allowed 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.426 -0.796 . . . . 0.0 109.644 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.626 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 40.0 m-85 -141.87 35.78 1.59 Allowed 'General case' 0 C--O 1.218 -0.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.511 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.91 -95.62 0.41 Allowed Glycine 0 C--O 1.217 -0.926 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.186 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -71.93 140.1 49.04 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.767 -0.843 . . . . 0.0 109.795 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 70.08 26.06 4.61 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 121.135 0.493 . . . . 0.0 109.852 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CD1' HG23 ' A' ' 52' ' ' THR . 70.3 m-85 -138.16 57.93 1.69 Allowed 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.106 -0.996 . . . . 0.0 108.85 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -151.94 164.47 37.07 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.543 -0.723 . . . . 0.0 109.105 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 62.27 56.98 2.06 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.531 -0.731 . . . . 0.0 109.117 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.72 66.56 0.67 Allowed 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.705 -0.622 . . . . 0.0 109.642 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -136.96 -49.45 0.63 Allowed 'General case' 0 C--O 1.215 -0.72 0 O-C-N 121.445 -0.784 . . . . 0.0 109.667 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.596 HG23 ' CD1' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -85.38 -4.86 59.29 Favored 'General case' 0 C--O 1.21 -0.996 0 O-C-N 121.849 -0.532 . . . . 0.0 110.176 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.767 HG23 HD23 ' A' ' 95' ' ' LEU . 23.4 mt -50.48 -47.9 82.85 Favored Pre-proline 0 C--O 1.216 -0.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.999 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.4 Cg_endo -64.11 -33.62 60.72 Favored 'Trans proline' 0 C--N 1.354 0.861 0 O-C-N 123.15 1.079 . . . . 0.0 110.545 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.626 ' CG1' ' CZ ' ' A' ' 43' ' ' PHE . 47.3 t -70.98 -42.79 77.01 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 44.0 mt -64.75 -30.89 71.91 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.0 -47.09 66.39 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.452 -0.78 . . . . 0.0 109.694 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.808 ' HG3' HD13 ' A' ' 116' ' ' ILE . 81.6 mm-40 -74.18 -28.22 61.18 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.408 ' CG ' HG11 ' A' ' 119' ' ' VAL . 9.9 ttt -73.8 -43.39 59.01 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.202 -0.936 . . . . 0.0 109.242 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.483 HG12 ' HE1' ' A' ' 151' ' ' PHE . 10.1 mt -71.77 -22.34 21.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 121.41 -0.806 . . . . 0.0 109.137 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -38.11 65.43 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.92 -40.51 83.35 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.608 HG23 ' CE1' ' A' ' 67' ' ' PHE . 66.4 mt -67.72 -34.61 68.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.555 ' HA ' HD13 ' A' ' 88' ' ' LEU . 25.1 t80 -56.9 -48.84 77.26 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.686 -0.634 . . . . 0.0 109.777 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.777 ' O ' HG23 ' A' ' 69' ' ' THR . 6.7 m120 -76.98 -34.78 57.53 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.497 -0.752 . . . . 0.0 109.945 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 130' ' ' LEU . 50.8 tp -59.45 -33.49 71.35 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.516 -0.74 . . . . 0.0 109.779 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.608 ' CE1' HG23 ' A' ' 63' ' ' ILE . 60.1 m-85 -99.09 -23.18 15.35 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.534 -0.728 . . . . 0.0 110.09 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -75.36 -19.88 59.31 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.217 -0.927 . . . . 0.0 110.222 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 65' ' ' ASN . 37.8 p -54.76 149.44 11.16 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.088 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -22.94 67.14 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.649 -0.657 . . . . 0.0 109.771 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.526 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.2 m-20 -74.85 -37.5 62.2 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.455 -0.778 . . . . 0.0 109.441 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.404 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 15.4 t -78.36 -31.34 48.49 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.485 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.599 ' HA ' HD12 ' A' ' 81' ' ' LEU . 99.2 p -68.3 -33.56 74.55 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 121.593 -0.692 . . . . 0.0 109.534 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.6 -17.49 44.58 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.58 -33.29 31.68 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 109.856 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 69.3 m95 -118.59 170.77 8.68 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.718 -0.614 . . . . 0.0 109.733 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.482 ' HB2' HD12 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -61.78 130.53 46.21 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.585 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -66.16 -28.22 68.61 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.453 -0.78 . . . . 0.0 110.233 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -77.97 -44.8 25.68 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.136 -0.978 . . . . 0.0 108.738 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 77' ' ' ASP . 95.7 mt -62.58 -38.07 88.68 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 73' ' ' SER . 11.0 mt -71.4 -33.61 69.63 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.87 -53.42 56.93 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 75.7 mmtt -65.19 -35.61 81.61 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.795 ' CE2' HD11 ' A' ' 88' ' ' LEU . 45.0 t80 -62.56 -29.18 70.39 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.795 -0.566 . . . . 0.0 109.514 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 23.0 m-85 -74.67 -42.26 58.79 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.216 -0.928 . . . . 0.0 109.108 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.8 m -65.41 -34.28 77.93 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 121.734 -0.604 . . . . 0.0 109.803 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.39 -34.61 65.62 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.411 -0.806 . . . . 0.0 109.364 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.795 HD11 ' CE2' ' A' ' 84' ' ' PHE . 68.8 mt -69.65 -40.6 76.38 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.555 -0.716 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.529 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.0 t80 -76.17 -32.1 58.87 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 121.493 -0.754 . . . . 0.0 109.921 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -51.88 59.88 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.67 -30.26 71.39 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 11.7 mt -68.93 -33.17 73.29 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.646 -0.659 . . . . 0.0 109.694 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -70.09 -42.42 72.76 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.233 -0.917 . . . . 0.0 109.36 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.51 -47.05 74.2 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.434 -0.791 . . . . 0.0 109.048 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.767 HD23 HG23 ' A' ' 53' ' ' ILE . 82.0 mt -59.65 -40.56 88.13 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.583 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.541 ' O ' HG12 ' A' ' 100' ' ' ILE . 82.1 tt0 -74.18 -37.12 64.03 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 121.383 -0.823 . . . . 0.0 110.096 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.79 -44.38 63.42 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.749 -0.594 . . . . 0.0 110.018 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.591 ' SG ' HD13 ' A' ' 53' ' ' ILE . 91.0 m -57.42 -44.19 84.42 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 121.788 0.804 . . . . 0.0 108.857 177.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.787 HG22 HG11 ' A' ' 105' ' ' VAL . 61.6 t -68.53 -30.6 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.224 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 96' ' ' GLU . 39.8 mm -65.83 -57.95 8.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 O-C-N 121.158 -0.964 . . . . 0.0 110.072 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -69.38 -178.01 1.28 Allowed 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.527 -0.733 . . . . 0.0 110.159 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -87.84 46.3 3.42 Favored Glycine 0 CA--C 1.532 1.124 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.641 HG21 ' HB2' ' A' ' 1' ' ' CYS . 25.6 t -76.25 167.76 2.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -70.49 75.99 0.52 Allowed Glycine 0 CA--C 1.532 1.141 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.787 HG11 HG22 ' A' ' 99' ' ' VAL . 18.6 t -122.84 14.43 5.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 121.633 -0.922 . . . . 0.0 109.338 178.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 105' ' ' VAL . 10.9 p -156.93 116.88 3.5 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 179.55 -48.06 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.666 -0.646 . . . . 0.0 109.302 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.687 ' HB ' ' HD2' ' A' ' 109' ' ' PRO . 74.8 p -62.87 166.9 6.77 Favored Pre-proline 0 C--O 1.219 -0.546 0 O-C-N 121.719 -0.613 . . . . 0.0 109.876 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.687 ' HD2' ' HB ' ' A' ' 108' ' ' THR . 36.6 Cg_endo -64.01 173.71 4.65 Favored 'Trans proline' 0 C--N 1.351 0.696 0 O-C-N 123.83 1.437 . . . . 0.0 111.143 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.756 HD22 ' C ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -49.26 -12.84 0.06 Allowed 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.843 -0.536 . . . . 0.0 112.339 -177.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.549 ' HG2' ' HG2' ' A' ' 109' ' ' PRO . 24.8 ptm -57.38 -18.91 19.9 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 120.839 -1.163 . . . . 0.0 110.462 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -31.33 66.75 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.13 -0.982 . . . . 0.0 109.756 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -84.14 -24.43 30.22 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.257 -0.902 . . . . 0.0 109.103 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.88 -28.31 69.75 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.442 -0.786 . . . . 0.0 110.12 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.657 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 13.3 p -68.29 -45.07 74.08 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.053 -1.029 . . . . 0.0 108.41 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.808 HD13 ' HG3' ' A' ' 58' ' ' GLU . 71.5 mt -69.73 -37.37 73.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.41 -30.71 71.75 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -66.18 -49.58 66.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' A' ' 59' ' ' MET . 72.7 t -63.14 -27.35 42.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.921 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -69.39 -41.23 76.75 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -69.47 -38.28 77.65 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.392 -0.817 . . . . 0.0 109.247 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.767 ' CE2' HD11 ' A' ' 126' ' ' ILE . 39.1 t80 -64.44 -46.82 81.52 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.39 -23.8 61.95 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.713 -0.617 . . . . 0.0 109.997 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -66.97 -39.59 87.26 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -69.45 -37.15 77.21 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.767 HD11 ' CE2' ' A' ' 122' ' ' TYR . 59.8 mt -65.23 -39.46 85.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 O-C-N 121.484 -0.76 . . . . 0.0 109.497 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 58.7 m -67.11 -42.97 83.64 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.499 -0.751 . . . . 0.0 109.68 -178.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 128' ' ' LEU . 11.3 tp -67.48 -35.92 80.11 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.489 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 26.0 t80 -59.96 -40.71 89.94 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 66' ' ' LEU . 41.8 mt -68.83 -38.72 80.04 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 127' ' ' THR . 2.0 mmmp? -69.11 -27.58 65.71 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.055 -1.028 . . . . 0.0 109.387 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 133' ' ' LYS . 1.8 tm-20 -70.48 -57.45 4.77 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.501 -0.75 . . . . 0.0 109.031 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 4.7 mptp? -75.98 -0.16 20.62 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 134' ' ' LYS . 29.4 mmmt 58.02 47.07 15.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.377 -0.827 . . . . 0.0 109.655 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.526 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 99.4 m-85 58.11 54.9 5.54 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 121.376 0.608 . . . . 0.0 110.339 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.455 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -81.69 162.02 59.36 Favored Pre-proline 0 C--O 1.217 -0.635 0 O-C-N 121.377 -0.827 . . . . 0.0 109.368 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 39.6 Cg_endo -68.66 -38.3 10.89 Favored 'Trans proline' 0 C--N 1.35 0.62 0 O-C-N 123.8 1.421 . . . . 0.0 111.372 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.35 -38.53 68.55 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -64.81 -37.6 88.15 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.418 -0.801 . . . . 0.0 108.965 178.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.404 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 16.2 m95 -69.69 -34.13 73.5 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 121.529 -0.732 . . . . 0.0 109.641 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.89 -46.39 85.07 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.338 -0.851 . . . . 0.0 109.319 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.669 HG21 ' O ' ' A' ' 32' ' ' ASP . 53.0 t -62.9 -38.5 82.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 139' ' ' ALA . 64.0 t -72.36 -25.55 23.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 O-C-N 121.593 -0.692 . . . . 0.0 109.705 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -46.35 66.49 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.185 -0.947 . . . . 0.0 109.044 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.82 71.19 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.453 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 44.9 mm-40 -69.16 -36.08 77.0 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.604 -0.685 . . . . 0.0 109.855 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 67' ' ' PHE . 14.7 mm -76.57 -33.24 22.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 O-C-N 121.287 -0.883 . . . . 0.0 109.739 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.2 ttm -72.22 -39.94 68.17 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 153' ' ' LEU . 0.3 OUTLIER -74.09 -42.2 60.5 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.391 -0.818 . . . . 0.0 109.736 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 58.8 m -66.01 -40.2 90.9 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.441 -0.787 . . . . 0.0 109.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.939 ' HB3' HD21 ' A' ' 15' ' ' LEU . 60.1 t80 -64.86 -38.67 91.76 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.486 -0.759 . . . . 0.0 109.271 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.4 t -65.47 -38.53 90.08 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.646 HD22 ' OE1' ' A' ' 40' ' ' GLN . 72.2 mt -64.04 -31.2 72.3 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 109.824 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.593 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 41.4 m -79.94 -27.73 39.76 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.288 -0.883 . . . . 0.0 110.055 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.914 HG21 ' HB3' ' A' ' 11' ' ' SER . 76.6 p -96.61 -0.61 48.34 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.371 -0.831 . . . . 0.0 110.632 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.26 -7.85 49.68 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.063 . . . . 0.0 110.243 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 157' ' ' LEU . 3.6 mm? -67.19 -37.38 83.59 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 120.942 -1.099 . . . . 0.0 109.238 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -75.53 -31.01 59.95 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.468 -0.77 . . . . 0.0 109.561 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.73 0.64 56.86 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 121.464 -0.773 . . . . 0.0 110.622 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 74.4 m -46.16 -46.73 17.5 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.593 -0.692 . . . . 0.0 110.146 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 161' ' ' LEU . 3.6 mm? -78.96 99.41 6.82 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -118.98 -65.65 1.15 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.471 -0.768 . . . . 0.0 109.742 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 87.8 p -136.32 168.69 18.95 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.377 -0.827 . . . . 0.0 110.064 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -135.69 81.02 1.86 Allowed 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.427 -179.732 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.45 ' HB3' HG21 ' A' ' 103' ' ' VAL . 71.2 m . . . . . 0 N--CA 1.493 1.725 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' HD23 ' A' ' 3' ' ' LEU . 10.2 p-10 -89.05 67.07 8.0 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.404 -0.81 . . . . 0.0 109.597 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.667 HD21 HG21 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -139.53 -66.09 0.02 OUTLIER Pre-proline 0 C--O 1.216 -0.675 0 O-C-N 121.299 -0.876 . . . . 0.0 109.103 179.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.646 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 54.5 Cg_endo -87.74 154.44 7.47 Favored 'Trans proline' 0 C--N 1.357 1.014 0 O-C-N 123.425 1.224 . . . . 0.0 110.222 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -120.53 52.94 1.13 Allowed 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.336 -0.853 . . . . 0.0 108.792 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -150.62 52.0 0.88 Allowed 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -87.14 175.41 8.09 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.128 -0.983 . . . . 0.0 109.957 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t 179.74 159.94 0.79 Allowed 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' A' ' 12' ' ' ARG . 41.2 tp -70.38 106.3 3.34 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.222 -0.924 . . . . 0.0 108.537 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.38 -28.93 4.41 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.7 p -65.29 -45.76 83.13 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.31 -1.112 . . . . 0.0 109.899 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' CB ' HD21 ' A' ' 9' ' ' LEU . 36.1 tpt85 -66.12 -35.47 80.58 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.555 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 19.7 mmt85 -70.24 -33.56 71.79 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.446 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -69.37 -41.45 76.5 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.191 -0.943 . . . . 0.0 108.785 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.777 HD21 ' HB3' ' A' ' 151' ' ' PHE . 87.7 mt -70.52 -33.35 71.08 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.664 -0.647 . . . . 0.0 110.363 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.555 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 23.2 ptm -70.53 -31.13 68.07 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 120.794 -1.191 . . . . 0.0 108.903 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.798 HD13 ' HA ' ' A' ' 84' ' ' PHE . 96.8 mt -62.67 -43.37 98.98 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.577 HD12 HD23 ' A' ' 15' ' ' LEU . 75.6 mt -58.75 -43.16 90.23 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.3 74.82 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.527 -0.733 . . . . 0.0 109.656 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -70.94 -29.43 65.45 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.511 -0.743 . . . . 0.0 109.58 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.533 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 55.6 mtp -73.54 -19.3 60.94 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.484 -0.76 . . . . 0.0 110.8 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ttp85 -71.77 110.21 6.16 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 120.888 -1.132 . . . . 0.0 109.208 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -90.36 -36.97 14.33 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.549 -0.72 . . . . 0.0 109.687 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.872 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -109.81 161.4 8.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 121.732 0.777 . . . . 0.0 110.425 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.1 m -83.04 144.09 30.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 63.3 tp -62.4 -35.27 78.7 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 121.545 -0.722 . . . . 0.0 109.462 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.835 ' HA ' ' HB3' ' A' ' 30' ' ' LEU . 62.2 m-85 -66.14 -39.25 89.7 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.371 -0.831 . . . . 0.0 108.897 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -59.41 -40.19 85.89 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.872 ' SG ' HD12 ' A' ' 24' ' ' ILE . 18.0 m -111.74 51.15 0.8 Allowed 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.835 ' HB3' ' HA ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -108.96 7.96 26.15 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.451 -0.781 . . . . 0.0 110.524 -176.318 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -82.62 -33.53 27.87 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -99.74 17.21 21.22 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.58 -0.7 . . . . 0.0 110.124 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.561 ' NH1' HD12 ' A' ' 30' ' ' LEU . 33.4 ptt180 -82.13 151.52 26.94 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 120.872 -1.142 . . . . 0.0 110.941 -177.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CE1' ' CE1' ' A' ' 129' ' ' TYR . 13.8 p-80 177.2 149.44 0.15 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.73 126.98 31.64 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.317 -0.865 . . . . 0.0 109.285 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.559 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 78.4 m-85 -70.92 -35.99 72.49 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.543 -0.723 . . . . 0.0 109.556 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.05 55.72 0.1 OUTLIER Glycine 0 C--O 1.217 -0.954 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 87.3 t80 -68.76 124.89 91.18 Favored Pre-proline 0 C--O 1.218 -0.601 0 O-C-N 121.47 -1.018 . . . . 0.0 108.754 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.532 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 54.3 Cg_endo -78.68 66.47 8.6 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 O-C-N 123.879 1.462 . . . . 0.0 111.052 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.859 ' HG3' HD22 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -70.32 -20.88 62.97 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.268 -0.895 . . . . 0.0 109.618 178.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -59.81 -31.0 69.3 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.542 ' HG3' ' CE2' ' A' ' 47' ' ' PHE . 4.7 tt0 -93.06 22.31 5.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.515 ' O ' HD21 ' A' ' 157' ' ' LEU . 11.3 m-85 -136.13 23.05 3.27 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.447 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.19 -52.83 0.04 OUTLIER Glycine 0 C--O 1.217 -0.909 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 10.9 m120 -101.81 147.4 26.54 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.837 -0.802 . . . . 0.0 109.033 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 14.4 mm100 64.8 15.98 10.16 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.719 -0.613 . . . . 0.0 110.04 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.995 ' HB3' HG23 ' A' ' 52' ' ' THR . 84.3 m-85 -148.87 72.57 1.18 Allowed 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.36 -0.837 . . . . 0.0 108.753 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -142.78 34.65 1.41 Allowed 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.037 -1.039 . . . . 0.0 110.343 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -169.2 79.22 0.12 Allowed 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.308 -0.87 . . . . 0.0 108.831 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . . . 60.14 20.76 10.04 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.737 -0.602 . . . . 0.0 110.125 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.607 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 59.9 mm-40 -94.08 -37.23 11.72 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.245 -0.909 . . . . 0.0 109.168 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.995 HG23 ' HB3' ' A' ' 47' ' ' PHE . 6.4 p -82.23 -25.87 33.76 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 121.746 -0.596 . . . . 0.0 110.14 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.686 HG21 ' HB2' ' A' ' 98' ' ' CYS . 62.5 mt -42.68 -51.4 12.01 Favored Pre-proline 0 N--CA 1.476 0.872 0 O-C-N 121.42 -0.8 . . . . 0.0 111.755 -178.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.3 Cg_endo -65.37 -35.49 39.64 Favored 'Trans proline' 0 C--N 1.354 0.83 0 O-C-N 123.1 1.053 . . . . 0.0 110.565 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 116' ' ' ILE . 2.1 t -71.7 -31.88 43.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.592 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 32.4 mt -73.18 -29.95 63.19 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.436 ' O ' HD21 ' A' ' 92' ' ' LEU . 56.3 t-80 -68.15 -46.57 70.41 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.456 -0.777 . . . . 0.0 109.027 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.87 ' HG3' HD13 ' A' ' 116' ' ' ILE . 61.3 mm-40 -76.92 -26.96 54.68 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.345 -0.847 . . . . 0.0 109.802 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -45.45 74.53 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 108.626 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 88' ' ' LEU . 5.6 mt -73.67 -23.23 19.17 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 121.766 -0.584 . . . . 0.0 109.496 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -73.24 -36.35 66.41 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -71.29 -37.76 71.83 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.647 -0.658 . . . . 0.0 109.474 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.523 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.8 mt -71.81 -32.87 46.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.581 ' HA ' HD13 ' A' ' 88' ' ' LEU . 27.3 t80 -60.8 -46.37 90.79 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.484 -0.76 . . . . 0.0 109.658 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 69' ' ' THR . 19.9 t-20 -76.98 -36.89 56.1 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.591 -0.693 . . . . 0.0 109.911 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 130' ' ' LEU . 36.0 tp -61.8 -29.78 70.38 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 121.412 -0.805 . . . . 0.0 109.747 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 63' ' ' ILE . 21.4 m-85 -97.56 -25.0 15.3 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.278 -0.889 . . . . 0.0 109.947 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 8.2 t -75.33 -21.87 58.07 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.35 -0.844 . . . . 0.0 110.182 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 65' ' ' ASN . 3.6 p -53.18 148.37 8.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.383 -0.823 . . . . 0.0 110.016 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -65.45 -26.94 68.18 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.652 -0.655 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.6 p30 -71.94 -18.41 62.01 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.39 -0.819 . . . . 0.0 109.756 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.48 ' OG ' ' CH2' ' A' ' 140' ' ' TRP . 9.9 m -102.77 -31.77 10.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.387 -0.82 . . . . 0.0 109.619 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.557 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 70.8 m -65.12 -30.3 71.22 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.633 -0.667 . . . . 0.0 109.293 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.58 -30.68 24.82 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.99 86.03 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.523 -0.736 . . . . 0.0 110.035 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.419 ' CE3' ' O ' ' A' ' 21' ' ' MET . 69.3 m95 -114.59 175.48 5.47 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.612 -0.68 . . . . 0.0 109.698 -178.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.571 ' HB2' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -72.38 138.91 47.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 121.251 -0.906 . . . . 0.0 108.952 179.341 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -27.65 66.38 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 121.547 -0.721 . . . . 0.0 110.044 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -78.89 -43.91 23.89 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.229 -0.92 . . . . 0.0 108.866 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 77' ' ' ASP . 99.0 mt -63.63 -37.53 87.67 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.557 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 11.3 mt -72.31 -33.22 67.21 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -55.75 -53.35 57.7 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 83' ' ' LYS . 27.2 mmmt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.798 ' HA ' HD13 ' A' ' 17' ' ' LEU . 12.3 t80 -63.34 -34.34 77.5 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.602 -0.686 . . . . 0.0 109.233 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.17 -31.45 64.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.229 -0.92 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -70.12 -41.06 74.47 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.515 -0.74 . . . . 0.0 109.71 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -75.63 -30.01 59.35 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.163 -0.961 . . . . 0.0 109.636 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.723 HD11 ' CE2' ' A' ' 84' ' ' PHE . 75.0 mt -70.92 -37.74 72.91 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.154 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -78.53 -33.24 48.09 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.534 -0.729 . . . . 0.0 109.981 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -71.01 -47.59 57.86 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 109.123 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.525 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 5.5 tp60 -64.15 -34.55 78.32 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.436 HD21 ' O ' ' A' ' 57' ' ' HIS . 9.0 mt -62.92 -43.27 99.25 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.46 -53.14 61.48 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.978 -0.451 . . . . 0.0 111.391 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 91' ' ' GLN . 5.0 p-10 -65.36 -46.2 81.09 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.743 -1.223 . . . . 0.0 109.167 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 56' ' ' LEU . 85.0 mt -52.42 -35.16 51.28 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.973 0.416 . . . . 0.0 109.96 178.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.462 ' O ' HG12 ' A' ' 100' ' ' ILE . 88.4 tt0 -74.92 -37.46 62.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 121.361 -0.837 . . . . 0.0 109.87 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.627 ' HB1' HD12 ' A' ' 3' ' ' LEU . . . -52.91 -50.47 63.88 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.63 -0.669 . . . . 0.0 109.77 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.686 ' HB2' HG21 ' A' ' 53' ' ' ILE . 16.6 m -57.24 -39.07 74.8 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.554 -0.716 . . . . 0.0 109.605 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.13 -33.71 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 121.634 -0.666 . . . . 0.0 110.184 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 96' ' ' GLU . 39.5 mm -55.52 -54.8 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 O-C-N 121.356 -0.84 . . . . 0.0 109.609 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.592 HE21 HD13 ' A' ' 3' ' ' LEU . 1.7 mp0 -92.07 -175.56 4.12 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.533 -0.729 . . . . 0.0 109.91 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.93 58.56 0.39 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 3' ' ' LEU . 7.1 t -93.81 42.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 O-C-N 121.555 -0.968 . . . . 0.0 109.374 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.438 ' HA3' ' HB3' ' A' ' 50' ' ' ALA . . . 110.47 13.34 15.03 Favored Glycine 0 CA--C 1.538 1.491 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.9 t -113.9 131.9 64.45 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 O-C-N 121.161 -1.2 . . . . 0.0 108.689 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 58.5 p -121.0 166.72 13.44 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.494 -0.754 . . . . 0.0 109.769 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -143.61 -24.82 0.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.586 -0.696 . . . . 0.0 111.206 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.612 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 63.8 m -55.64 -54.11 55.15 Favored Pre-proline 0 C--O 1.216 -0.664 0 O-C-N 121.074 -1.016 . . . . 0.0 110.924 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.623 ' HB2' ' HG2' ' A' ' 111' ' ' MET . 49.5 Cg_endo -72.81 143.39 37.05 Favored 'Trans proline' 0 C--N 1.352 0.754 0 O-C-N 123.369 1.194 . . . . 0.0 110.845 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 110' ' ' LEU . 2.4 pt? -71.98 -9.67 58.7 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.559 -0.713 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' A' ' 109' ' ' PRO . 20.0 ptm -55.9 -33.13 64.35 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.236 -0.915 . . . . 0.0 110.256 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 106' ' ' THR . 32.1 mmmt -68.43 -36.14 78.62 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.407 -0.808 . . . . 0.0 109.672 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 31.0 tp10 -81.41 -22.16 38.44 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 121.306 -0.871 . . . . 0.0 109.519 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.32 -39.27 93.56 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.233 -0.917 . . . . 0.0 109.589 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.532 ' OG ' HG22 ' A' ' 55' ' ' VAL . 6.0 p -63.71 -47.56 80.63 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.41 -0.807 . . . . 0.0 109.013 178.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.87 HD13 ' HG3' ' A' ' 58' ' ' GLU . 82.4 mt -66.18 -34.91 73.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 1.1 tt -64.37 -34.31 77.87 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.532 ' HB1' ' HG3' ' A' ' 39' ' ' PRO . . . -65.48 -44.83 85.9 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.24 -24.65 30.12 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -69.02 -47.08 66.33 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -28.13 65.4 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.406 -0.809 . . . . 0.0 109.395 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 58.6 t80 -67.71 -50.07 59.43 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.493 -0.755 . . . . 0.0 109.084 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.2 -25.53 62.56 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.693 -0.629 . . . . 0.0 110.217 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -65.39 -41.01 94.13 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -67.6 -38.16 83.58 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 122' ' ' TYR . 65.6 mt -63.84 -37.36 79.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 O-C-N 121.623 -0.673 . . . . 0.0 109.728 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.6 m -66.47 -43.37 85.67 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.164 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 128' ' ' LEU . 8.7 tp -66.55 -32.73 74.26 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.423 ' CE1' ' CE1' ' A' ' 34' ' ' HIS . 78.6 t80 -62.87 -45.37 92.89 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.731 -0.606 . . . . 0.0 109.373 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.495 HD11 HD11 ' A' ' 66' ' ' LEU . 57.9 mt -63.42 -39.57 94.83 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -74.6 -18.44 60.56 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.266 -0.897 . . . . 0.0 109.7 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -77.35 -51.18 11.27 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.253 -0.905 . . . . 0.0 108.902 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -80.77 1.55 29.91 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 121.792 -0.568 . . . . 0.0 109.584 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.46 40.71 16.83 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.795 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CD1' ' HB3' ' A' ' 130' ' ' LEU . 59.0 m-85 60.04 51.72 5.62 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.656 -0.653 . . . . 0.0 110.082 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.45 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 20.9 m -75.84 162.31 72.45 Favored Pre-proline 0 C--O 1.217 -0.613 0 O-C-N 121.392 -0.818 . . . . 0.0 109.046 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 41.1 Cg_endo -68.95 -42.75 3.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 O-C-N 123.65 1.342 . . . . 0.0 110.993 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 27.9 m -68.64 -39.06 80.89 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -58.78 -38.16 77.89 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.685 -0.634 . . . . 0.0 109.349 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.48 ' CH2' ' OG ' ' A' ' 72' ' ' SER . 20.8 m95 -72.31 -29.14 63.57 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 121.58 -0.7 . . . . 0.0 110.354 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.703 ' CG ' HG13 ' A' ' 24' ' ' ILE . 1.3 tm-20 -73.59 -36.96 65.61 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.086 -1.009 . . . . 0.0 108.72 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 73.2 t -63.7 -44.17 98.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 139' ' ' ALA . 42.6 t -71.62 -27.41 28.21 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 141' ' ' GLU . 8.5 tpt85 -61.23 -54.16 47.72 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.21 -31.93 73.06 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.403 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 21.1 mm-40 -71.63 -30.91 66.29 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.595 -0.691 . . . . 0.0 110.11 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 143' ' ' VAL . 17.6 mm -78.81 -32.78 15.95 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.471 ' HG3' HD22 ' A' ' 15' ' ' LEU . 27.8 ttm -73.75 -39.69 64.04 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.343 -0.848 . . . . 0.0 108.899 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -70.8 -45.17 65.11 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 121.562 -0.711 . . . . 0.0 109.257 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 95.5 p -63.27 -38.28 90.53 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.634 -0.666 . . . . 0.0 109.671 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.777 ' HB3' HD21 ' A' ' 15' ' ' LEU . 38.0 t80 -68.81 -42.19 77.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.0 t -67.36 -32.86 74.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.408 -0.807 . . . . 0.0 109.379 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.859 HD22 ' HG3' ' A' ' 40' ' ' GLN . 38.0 mt -71.02 -36.13 72.27 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 24.5 m -69.55 -38.62 77.52 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.771 -0.581 . . . . 0.0 109.707 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 80.4 p -93.4 1.57 56.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.476 -0.765 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -60.27 -18.15 47.23 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.246 -0.909 . . . . 0.0 110.856 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.522 HD22 ' H ' ' A' ' 157' ' ' LEU . 3.2 mm? -58.55 -39.72 81.03 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.001 -1.062 . . . . 0.0 108.897 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -81.85 -33.55 30.59 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.57 -0.706 . . . . 0.0 109.302 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -65.45 -27.65 68.66 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.444 -0.785 . . . . 0.0 110.086 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 32.7 t -101.9 73.58 1.41 Allowed 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 29.0 tp -97.35 95.01 7.39 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.406 -0.809 . . . . 0.0 108.945 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -95.83 -55.71 2.91 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.472 -0.768 . . . . 0.0 109.496 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.7 t -134.99 133.12 39.13 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.423 -0.798 . . . . 0.0 109.531 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -135.01 78.94 1.76 Allowed 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.427 -179.513 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.743 ' HB2' HG21 ' A' ' 103' ' ' VAL . 2.2 t . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.739 0.78 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -140.25 93.1 2.59 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.574 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.1 mm? -77.4 -56.66 1.16 Allowed Pre-proline 0 C--O 1.216 -0.672 0 O-C-N 121.453 -0.779 . . . . 0.0 109.749 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 46.6 Cg_endo -73.83 112.55 3.56 Favored 'Trans proline' 0 C--N 1.356 0.95 0 O-C-N 123.487 1.257 . . . . 0.0 109.989 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -77.34 71.62 3.84 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 121.623 0.725 . . . . 0.0 109.711 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.9 p -108.24 -24.26 11.58 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.332 -0.855 . . . . 0.0 110.0 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -77.55 179.37 6.57 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.672 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.7 p -105.19 165.24 11.24 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.46 -0.775 . . . . 0.0 109.44 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 9' ' ' LEU . 7.0 mp -88.55 121.79 31.31 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.318 -0.864 . . . . 0.0 109.626 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.69 -15.08 80.84 Favored Glycine 0 CA--C 1.537 1.424 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.556 ' HB3' HG21 ' A' ' 155' ' ' THR . 71.1 m -60.85 -31.39 70.83 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.515 -0.991 . . . . 0.0 109.752 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -66.67 -43.58 84.13 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.489 -0.757 . . . . 0.0 109.819 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 36.7 ttp180 -74.11 -31.81 62.94 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.347 -0.846 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.504 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 21.0 m -61.93 -45.7 92.56 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.221 -0.924 . . . . 0.0 108.881 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.926 HD21 ' HB3' ' A' ' 151' ' ' PHE . 69.9 mt -69.25 -32.59 71.89 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.688 -0.632 . . . . 0.0 109.491 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 ttp -65.0 -35.08 80.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.374 -0.828 . . . . 0.0 108.846 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 84' ' ' PHE . 97.5 mt -66.48 -42.41 87.53 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD12 HD23 ' A' ' 15' ' ' LEU . 75.5 mt -61.24 -34.55 75.33 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.671 -0.643 . . . . 0.0 109.53 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.59 -46.87 74.54 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.625 -0.672 . . . . 0.0 109.298 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -69.09 -18.97 64.05 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.49 -0.756 . . . . 0.0 109.787 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.51 ' O ' ' CZ3' ' A' ' 76' ' ' TRP . 43.3 mtp -88.04 29.97 0.89 Allowed 'General case' 0 C--O 1.207 -1.149 0 O-C-N 121.329 -0.857 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 24' ' ' ILE . 33.6 ttm-85 -102.64 117.29 34.35 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 120.868 -1.145 . . . . 0.0 108.72 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HE2' ' C ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -94.39 -31.53 13.96 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.466 -0.772 . . . . 0.0 109.574 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.815 HD12 ' SG ' ' A' ' 29' ' ' CYS . 2.4 pt -129.1 171.51 16.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 121.629 -0.669 . . . . 0.0 109.474 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.0 m -94.42 147.1 23.57 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.9 tp -64.51 -32.13 73.64 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.36 -39.34 92.19 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -65.91 -26.53 67.65 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.438 -0.789 . . . . 0.0 109.304 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.815 ' SG ' HD12 ' A' ' 24' ' ' ILE . 54.4 m -106.66 46.75 0.91 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.6 mt -86.68 -2.34 58.45 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.159 -0.963 . . . . 0.0 109.839 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -82.55 -29.45 30.33 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.442 -0.786 . . . . 0.0 108.994 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -117.02 30.08 7.54 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.685 -0.635 . . . . 0.0 109.496 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -79.77 122.56 26.76 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.087 -1.008 . . . . 0.0 109.228 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -139.17 121.05 15.49 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 121.606 -0.684 . . . . 0.0 109.367 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -78.17 138.68 38.81 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.39 -0.819 . . . . 0.0 109.243 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 55.0 m-85 -92.53 -45.17 8.25 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.522 -0.736 . . . . 0.0 109.441 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 68.54 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD1' ' HB2' ' A' ' 150' ' ' SER . 68.7 t80 -64.29 133.2 95.57 Favored Pre-proline 0 C--O 1.217 -0.634 0 O-C-N 121.587 -0.949 . . . . 0.0 108.784 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 52.7 Cg_endo -79.66 69.85 7.76 Favored 'Trans proline' 0 C--N 1.351 0.709 0 O-C-N 123.711 1.374 . . . . 0.0 111.29 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.543 ' HG3' HD22 ' A' ' 153' ' ' LEU . 5.0 tm0? -77.49 -20.7 53.94 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.432 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.28 -32.72 62.62 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.26 41.53 1.11 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.514 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 4.1 m-85 -147.5 15.84 1.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.433 -0.792 . . . . 0.0 110.244 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.57 -9.41 3.23 Favored Glycine 0 CA--C 1.539 1.58 0 O-C-N 120.886 -1.134 . . . . 0.0 111.463 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -134.04 134.14 42.05 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 120.877 -1.366 . . . . 0.0 109.563 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 66.67 35.4 5.26 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.685 -0.635 . . . . 0.0 109.358 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.625 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 53.8 m-85 -136.88 36.49 2.61 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.282 -0.886 . . . . 0.0 109.679 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -125.86 171.54 10.62 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER 57.67 43.53 22.1 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.366 -0.834 . . . . 0.0 109.443 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . 65.82 77.82 0.28 Allowed 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.569 -0.707 . . . . 0.0 109.975 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -137.59 -49.71 0.6 Allowed 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.444 -0.785 . . . . 0.0 109.116 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.625 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 12.3 t -91.36 7.55 40.48 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 121.931 -0.481 . . . . 0.0 110.107 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.748 HG23 HD23 ' A' ' 95' ' ' LEU . 43.2 mt -58.07 -43.69 98.65 Favored Pre-proline 0 C--O 1.213 -0.84 0 O-C-N 120.952 -1.092 . . . . 0.0 110.151 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.2 Cg_endo -65.95 -25.83 51.85 Favored 'Trans proline' 0 C--N 1.356 0.968 0 O-C-N 123.206 1.109 . . . . 0.0 110.238 177.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.731 ' HA ' HG12 ' A' ' 116' ' ' ILE . 5.2 t -74.41 -45.68 45.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 41.1 mt -63.04 -36.94 85.25 Favored 'General case' 0 C--O 1.21 -1.002 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 61.9 t-80 -61.22 -47.65 85.1 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.723 -0.611 . . . . 0.0 109.652 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.894 ' HG3' HD13 ' A' ' 116' ' ' ILE . 60.5 mm-40 -69.94 -28.84 65.91 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.465 -0.772 . . . . 0.0 109.758 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.1 ttt -68.59 -36.96 79.42 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.339 -0.85 . . . . 0.0 108.717 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.669 HG21 ' HG ' ' A' ' 92' ' ' LEU . 8.3 mm -67.21 -36.76 77.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 O-C-N 121.454 -0.778 . . . . 0.0 108.982 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -72.08 -35.35 69.21 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.606 -0.684 . . . . 0.0 109.404 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -67.64 -41.96 83.03 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 121.362 -0.836 . . . . 0.0 108.929 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 67' ' ' PHE . 85.3 mt -71.82 -27.35 27.51 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.618 ' HA ' HD13 ' A' ' 88' ' ' LEU . 44.9 t80 -66.82 -45.98 76.6 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 121.343 -0.848 . . . . 0.0 109.607 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.54 ' O ' HG23 ' A' ' 69' ' ' THR . 5.9 m120 -74.98 -36.11 62.04 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.536 -0.728 . . . . 0.0 109.567 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 130' ' ' LEU . 38.4 tp -63.15 -30.49 71.63 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.488 -0.758 . . . . 0.0 109.269 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.7 m-85 -99.74 -12.59 19.83 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.625 -0.672 . . . . 0.0 110.296 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -86.66 -20.25 28.06 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.11 -0.993 . . . . 0.0 109.768 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 65' ' ' ASN . 17.8 p -53.7 147.17 12.01 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.963 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -25.1 67.88 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.49 -0.756 . . . . 0.0 109.72 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 5.5 m-20 -72.16 -39.01 69.03 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.524 -0.735 . . . . 0.0 109.027 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.481 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 84.0 p -77.35 -32.37 55.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.681 -0.637 . . . . 0.0 109.405 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.537 ' HA ' HD12 ' A' ' 81' ' ' LEU . 32.9 t -66.95 -33.07 74.77 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.317 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.79 -24.63 33.31 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.56 -33.27 66.69 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' MET . 63.5 m95 -119.55 174.18 6.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.566 -0.709 . . . . 0.0 109.852 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.72 131.17 44.14 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.375 -0.828 . . . . 0.0 108.865 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.14 -26.52 68.57 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.518 -0.739 . . . . 0.0 110.183 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.9 m -78.53 -46.32 19.8 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.218 -0.926 . . . . 0.0 108.856 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 80' ' ' LEU . 64.4 mt -62.4 -36.52 82.58 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 73' ' ' SER . 11.1 mt -71.99 -34.72 69.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -55.34 -49.07 73.18 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.599 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 25.2 tptp -65.8 -37.68 86.92 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 17' ' ' LEU . 28.7 t80 -63.25 -26.79 68.95 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.955 -0.465 . . . . 0.0 109.765 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 22.7 m-85 -75.57 -49.47 18.49 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.042 -1.036 . . . . 0.0 108.996 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.0 m -62.58 -31.19 71.97 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.776 -0.578 . . . . 0.0 109.489 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' A' ' 14' ' ' THR . 16.5 tp10 -71.11 -40.05 71.71 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.392 -0.818 . . . . 0.0 109.077 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' A' ' 64' ' ' PHE . 67.8 mt -63.82 -44.9 91.86 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.611 -0.68 . . . . 0.0 109.291 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-85 -69.29 -28.94 66.72 Favored 'General case' 0 C--O 1.213 -0.868 0 O-C-N 121.346 -0.846 . . . . 0.0 110.084 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.58 -50.56 64.67 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 121.249 -0.907 . . . . 0.0 108.561 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.27 -25.78 67.03 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.669 ' HG ' HG21 ' A' ' 60' ' ' ILE . 18.1 mt -71.28 -34.0 70.26 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.458 -0.776 . . . . 0.0 109.235 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.85 -43.11 72.59 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.392 -0.818 . . . . 0.0 109.175 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -66.83 -45.95 76.63 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.496 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.748 HD23 HG23 ' A' ' 53' ' ' ILE . 63.6 mt -64.73 -33.8 76.83 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.855 -0.528 . . . . 0.0 110.227 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.53 ' HG2' HG13 ' A' ' 100' ' ' ILE . 87.7 tt0 -76.12 -30.19 58.12 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.555 -0.715 . . . . 0.0 110.038 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.23 -47.89 65.46 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.442 -0.786 . . . . 0.0 110.237 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.409 ' HA ' ' CA ' ' A' ' 1' ' ' CYS . 1.5 t -61.13 -45.13 95.94 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.433 -0.792 . . . . 0.0 109.216 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.18 -35.46 73.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 O-C-N 122.092 -0.38 . . . . 0.0 110.348 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.53 HG13 ' HG2' ' A' ' 96' ' ' GLU . 97.3 mt -67.42 -53.08 35.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 O-C-N 121.19 -0.944 . . . . 0.0 109.53 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -70.0 166.1 20.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.326 0.584 . . . . 0.0 110.037 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -92.44 47.71 2.59 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.743 HG21 ' HB2' ' A' ' 1' ' ' CYS . 21.9 t -83.09 166.07 2.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 O-C-N 121.465 -1.021 . . . . 0.0 108.57 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.485 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -53.94 113.92 3.63 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.1 t -142.4 152.24 18.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 O-C-N 121.647 -0.913 . . . . 0.0 108.58 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.1 p -66.22 129.37 39.6 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.4 -0.812 . . . . 0.0 109.71 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -158.08 -51.46 0.07 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.579 -0.701 . . . . 0.0 109.855 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.53 ' HB ' ' HD3' ' A' ' 109' ' ' PRO . 86.8 m -61.67 -52.39 69.62 Favored Pre-proline 0 C--O 1.217 -0.612 0 O-C-N 121.589 -0.694 . . . . 0.0 110.664 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 108' ' ' THR . 42.3 Cg_endo -68.76 169.17 18.19 Favored 'Trans proline' 0 C--N 1.354 0.864 0 O-C-N 123.435 1.229 . . . . 0.0 111.23 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.795 HD13 ' H ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -82.54 -8.26 59.62 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.593 -0.692 . . . . 0.0 110.719 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.516 ' N ' HD22 ' A' ' 110' ' ' LEU . 24.7 ptm -79.68 12.01 2.83 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.945 -1.097 . . . . 0.0 110.628 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 112' ' ' LYS . 6.8 ttpm? -56.05 -53.44 56.99 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 121.067 -1.021 . . . . 0.0 109.344 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -117.52 12.47 14.13 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.519 -0.738 . . . . 0.0 110.18 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -68.01 -37.65 81.68 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.029 -1.044 . . . . 0.0 108.809 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.621 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 47.7 m -64.9 -41.61 95.45 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.894 HD13 ' HG3' ' A' ' 58' ' ' GLU . 55.4 mt -65.96 -33.29 62.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 117' ' ' LEU . 16.4 mt -66.84 -33.65 76.08 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -68.67 -46.17 69.79 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.17 -23.28 30.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.812 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 44.4 ttt85 -70.86 -45.19 64.9 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.33 -0.856 . . . . 0.0 109.388 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.97 -32.18 70.27 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.425 -0.797 . . . . 0.0 108.903 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.663 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.5 t80 -63.63 -52.39 61.03 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -68.45 -27.92 66.59 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.757 -0.589 . . . . 0.0 110.232 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -63.7 -40.66 97.34 Favored 'General case' 0 C--O 1.217 -0.658 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -70.17 -34.08 72.56 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.663 HD11 ' CE2' ' A' ' 122' ' ' TYR . 62.7 mt -65.65 -36.54 77.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 O-C-N 121.423 -0.798 . . . . 0.0 109.108 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 36.0 m -66.78 -43.76 83.16 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.421 -0.799 . . . . 0.0 109.217 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.9 -34.74 78.82 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.424 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 89.2 t80 -59.48 -47.02 87.12 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 66' ' ' LEU . 73.2 mt -61.32 -37.16 82.25 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -69.02 -29.21 67.33 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.376 -0.827 . . . . 0.0 109.55 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.58 -52.15 28.76 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.536 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 14.9 mptt -82.25 3.38 27.69 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.84 -0.537 . . . . 0.0 109.839 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 5.0 mptp? 55.91 47.43 20.08 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.383 -0.823 . . . . 0.0 109.463 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 92.5 m-85 56.72 54.87 6.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.601 0.715 . . . . 0.0 109.88 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.486 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 36.9 t -80.56 152.64 72.96 Favored Pre-proline 0 C--O 1.215 -0.721 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.486 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.0 Cg_endo -63.24 -38.57 43.55 Favored 'Trans proline' 0 C--N 1.353 0.764 0 O-C-N 123.55 1.289 . . . . 0.0 110.819 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -71.69 -36.93 70.75 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -64.5 -41.77 96.24 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.591 -0.693 . . . . 0.0 109.148 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.481 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 19.8 m95 -66.03 -34.81 78.92 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.951 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.38 -42.95 87.17 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.113 -0.992 . . . . 0.0 108.772 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.5 t -59.9 -43.46 92.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 147' ' ' ILE . 62.8 t -68.69 -27.72 37.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.059 0 O-C-N 121.69 -0.631 . . . . 0.0 109.787 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.618 ' NE ' ' HA ' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.21 -52.06 51.68 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.171 -0.956 . . . . 0.0 108.699 178.508 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.21 71.32 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -75.72 -30.25 59.21 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.509 -0.744 . . . . 0.0 109.996 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 143' ' ' VAL . 13.4 mm -80.34 -35.29 15.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 121.414 -0.804 . . . . 0.0 109.54 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.478 ' HG3' HD22 ' A' ' 15' ' ' LEU . 31.9 ttm -73.22 -37.97 66.21 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -70.91 -48.91 51.08 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.623 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 89.4 p -61.12 -37.96 84.65 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.78 -0.575 . . . . 0.0 109.749 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.926 ' HB3' HD21 ' A' ' 15' ' ' LEU . 37.3 t80 -68.11 -41.95 81.02 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.523 -0.735 . . . . 0.0 109.591 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.3 m -65.8 -33.37 75.7 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.543 HD22 ' HG3' ' A' ' 40' ' ' GLN . 78.8 mt -69.91 -33.71 72.52 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 121.699 -0.626 . . . . 0.0 109.687 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.551 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 4.2 m -78.78 -27.47 44.55 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.193 -0.942 . . . . 0.0 109.591 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.556 HG21 ' HB3' ' A' ' 11' ' ' SER . 68.9 p -99.07 1.21 45.01 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.421 -0.799 . . . . 0.0 110.702 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -73.66 -2.07 21.6 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.803 -1.186 . . . . 0.0 110.836 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 157' ' ' LEU . 4.3 mm? -52.51 -46.75 66.81 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 120.971 -1.08 . . . . 0.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -25.15 60.31 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.334 -0.854 . . . . 0.0 109.677 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -72.61 -17.31 61.7 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.407 -0.808 . . . . 0.0 110.262 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.6 m -78.63 -57.42 3.77 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.383 -0.823 . . . . 0.0 109.356 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 161' ' ' LEU . 96.3 mt -105.4 125.64 51.22 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.471 -0.768 . . . . 0.0 109.145 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -69.45 -59.51 2.94 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.548 -0.72 . . . . 0.0 109.834 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 28.1 t -132.54 138.99 47.68 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.441 -0.787 . . . . 0.0 109.824 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -145.12 84.35 1.71 Allowed 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 118.255 -0.878 . . . . 0.0 109.341 -179.641 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.633 ' SG ' HG11 ' A' ' 103' ' ' VAL . 3.7 t . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.573 0.701 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -138.0 68.74 1.39 Allowed 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 4.5 mm? -59.28 -52.85 71.52 Favored Pre-proline 0 C--O 1.217 -0.628 0 O-C-N 121.545 -0.722 . . . . 0.0 109.841 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 48.3 Cg_endo -73.59 146.98 39.82 Favored 'Trans proline' 0 C--N 1.355 0.871 0 O-C-N 123.463 1.244 . . . . 0.0 110.289 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -91.24 78.82 5.76 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.35 -0.844 . . . . 0.0 108.973 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.5 p -142.2 59.46 1.46 Allowed 'General case' 0 C--O 1.218 -0.576 0 CA-C-O 121.335 0.588 . . . . 0.0 109.591 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.52 160.9 30.11 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.267 -0.896 . . . . 0.0 109.613 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -94.38 177.09 6.06 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.624 -0.673 . . . . 0.0 109.673 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.5 mt -87.04 76.41 9.34 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.335 -0.853 . . . . 0.0 109.423 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' HA2' ' NH2' ' A' ' 13' ' ' ARG . . . -69.29 -33.16 72.8 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' HG21 ' A' ' 155' ' ' THR . 37.8 m -63.71 -35.39 80.42 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.649 -0.912 . . . . 0.0 109.721 179.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 21.9 tpt180 -66.82 -38.78 87.12 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.521 -0.737 . . . . 0.0 109.38 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' HG3' ' A' ' 16' ' ' MET . 55.3 mtm-85 -67.17 -35.33 79.45 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.341 -0.849 . . . . 0.0 109.16 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.443 ' HA ' HD12 ' A' ' 17' ' ' LEU . 32.5 m -63.27 -41.3 99.0 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.383 -0.823 . . . . 0.0 109.24 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.817 HD21 ' HB3' ' A' ' 151' ' ' PHE . 22.2 mt -71.59 -31.18 66.66 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.755 -0.591 . . . . 0.0 110.07 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -66.12 -32.16 73.45 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.273 177.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 84' ' ' PHE . 73.1 mt -64.79 -45.57 85.73 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 15' ' ' LEU . 81.8 mt -58.74 -39.87 82.17 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 121.899 -0.501 . . . . 0.0 109.869 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB2' ' HE1' ' A' ' 148' ' ' MET . . . -61.16 -42.41 98.51 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 121.441 -0.787 . . . . 0.0 109.885 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -75.2 -24.56 57.8 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.545 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 51.0 mtp -73.41 -19.28 61.01 Favored 'General case' 0 C--O 1.207 -1.156 0 O-C-N 121.29 -0.881 . . . . 0.0 110.774 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -68.71 118.83 12.2 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 120.844 -1.16 . . . . 0.0 109.693 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HD2' ' O ' ' A' ' 21' ' ' MET . 1.9 mptp? -96.01 -34.71 11.66 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.689 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.845 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.1 pt -118.63 170.53 7.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 O-C-N 121.498 -0.751 . . . . 0.0 110.216 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.1 m -101.29 156.68 17.3 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.536 -0.727 . . . . 0.0 110.029 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.489 ' CD1' HG22 ' A' ' 142' ' ' VAL . 62.4 tp -68.07 -30.45 69.64 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -68.22 -38.15 81.58 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -67.98 -31.04 70.48 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.845 ' SG ' HD12 ' A' ' 24' ' ' ILE . 36.5 m -108.36 52.78 0.7 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.586 -0.697 . . . . 0.0 109.807 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -78.71 -1.97 37.07 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.067 -1.02 . . . . 0.0 110.254 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -76.97 -29.76 55.68 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.609 ' O ' HG21 ' A' ' 142' ' ' VAL . 3.0 m-20 -106.42 21.44 17.42 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.704 -0.622 . . . . 0.0 110.147 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.65 105.2 1.82 Allowed 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.067 -1.021 . . . . 0.0 109.249 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -147.21 122.31 10.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -82.14 126.05 31.6 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.381 -0.824 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB2' ' HE1' ' A' ' 122' ' ' TYR . 46.0 m-85 -76.61 -51.13 12.18 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.529 -0.732 . . . . 0.0 109.4 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.42 76.0 0.72 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 75.1 t80 -73.19 131.09 83.68 Favored Pre-proline 0 C--O 1.217 -0.615 0 O-C-N 121.491 -1.005 . . . . 0.0 108.712 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.658 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.5 Cg_endo -82.07 74.18 5.34 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 O-C-N 123.653 1.344 . . . . 0.0 111.191 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -77.73 -14.42 59.61 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.545 178.541 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.89 -32.71 69.75 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.102 -0.999 . . . . 0.0 109.112 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.55 ' HG2' ' CA ' ' A' ' 115' ' ' SER . 1.6 tp10 -96.29 30.57 2.46 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.47 -0.768 . . . . 0.0 108.982 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.573 ' HZ ' HG12 ' A' ' 55' ' ' VAL . 9.4 m-85 -138.75 53.61 1.77 Allowed 'General case' 0 C--O 1.218 -0.574 0 O-C-N 121.399 -0.813 . . . . 0.0 108.832 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.912 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -152.74 -90.99 0.08 OUTLIER Glycine 0 C--O 1.217 -0.939 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -70.55 142.91 51.74 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 121.8 -0.824 . . . . 0.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 66.83 19.31 10.69 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.785 -0.572 . . . . 0.0 109.849 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 66.0 m-85 -142.09 34.65 1.54 Allowed 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.194 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.797 ' CG ' HD12 ' A' ' 157' ' ' LEU . 71.6 mt-30 -131.87 28.77 4.49 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.29 -0.881 . . . . 0.0 109.845 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 11.4 mmmm -147.77 55.23 1.06 Allowed 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.0 30.79 19.8 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.762 -0.586 . . . . 0.0 109.694 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -101.06 -36.98 8.79 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.264 -0.897 . . . . 0.0 109.975 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.564 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 6.1 t -90.02 9.05 29.49 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.72 -0.613 . . . . 0.0 110.312 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.786 HG23 HD23 ' A' ' 95' ' ' LEU . 59.4 mt -60.25 -43.11 92.69 Favored Pre-proline 0 C--O 1.214 -0.792 0 O-C-N 121.026 -1.047 . . . . 0.0 110.514 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.1 Cg_endo -65.91 -29.82 49.27 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 123.133 1.07 . . . . 0.0 110.106 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.769 ' HA ' HG12 ' A' ' 116' ' ' ILE . 11.8 t -73.38 -37.04 50.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.607 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 46.7 mt -71.67 -28.66 63.88 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 121.601 -0.687 . . . . 0.0 109.437 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.48 -40.65 70.12 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.36 -0.837 . . . . 0.0 108.949 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 116' ' ' ILE . 15.8 tp10 -75.88 -33.67 59.97 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.09 -47.21 71.9 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.282 -0.886 . . . . 0.0 108.998 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.506 HG12 ' HE1' ' A' ' 151' ' ' PHE . 6.7 mt -72.84 -20.87 19.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 121.707 -0.621 . . . . 0.0 109.582 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -76.07 -34.96 59.58 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -74.99 -33.28 61.82 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.677 -0.639 . . . . 0.0 109.339 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.8 mt -76.35 -33.19 23.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' HA ' HD13 ' A' ' 88' ' ' LEU . 37.0 t80 -63.37 -44.6 94.34 Favored 'General case' 0 C--O 1.21 -0.981 0 O-C-N 121.518 -0.739 . . . . 0.0 109.431 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.751 ' O ' HG23 ' A' ' 69' ' ' THR . 20.6 t-20 -79.53 -37.9 35.5 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.487 -0.758 . . . . 0.0 109.552 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.73 -32.16 68.96 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.462 -0.774 . . . . 0.0 109.469 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.428 ' CD2' ' HE1' ' A' ' 21' ' ' MET . 9.3 m-85 -96.01 -27.86 14.92 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.639 -0.663 . . . . 0.0 109.982 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 20.5 t -72.63 -20.86 61.2 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 65' ' ' ASN . 29.2 p -53.52 147.57 10.76 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.981 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -61.44 -22.44 65.03 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.691 -0.631 . . . . 0.0 110.082 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -76.27 -40.73 51.06 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.361 -0.837 . . . . 0.0 109.295 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.463 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 26.4 t -78.88 -29.82 44.63 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.434 -0.791 . . . . 0.0 109.149 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.473 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 28.8 t -66.23 -36.46 83.1 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.642 -0.661 . . . . 0.0 109.219 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.32 -27.44 32.24 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.51 -31.89 71.47 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.549 -0.72 . . . . 0.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 140' ' ' TRP . 65.3 m95 -119.83 170.18 9.46 Favored 'General case' 0 C--O 1.216 -0.695 0 O-C-N 121.384 -0.822 . . . . 0.0 109.912 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -66.48 133.68 50.89 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.38 -0.825 . . . . 0.0 108.797 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.21 -30.29 71.17 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.716 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -77.68 -43.55 30.86 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.08 -1.013 . . . . 0.0 109.155 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.4 -35.72 81.34 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.507 ' HA ' HD23 ' A' ' 81' ' ' LEU . 10.7 mt -73.39 -32.53 64.51 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.42 -51.88 67.95 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HD2' HD21 ' A' ' 17' ' ' LEU . 34.0 ttmt -64.53 -34.43 78.21 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.858 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.7 t80 -63.95 -33.09 74.93 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.771 -0.58 . . . . 0.0 109.601 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -73.22 -34.11 65.73 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 121.269 -0.894 . . . . 0.0 109.236 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.7 m -66.46 -42.13 88.04 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -32.15 69.46 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.295 -0.878 . . . . 0.0 109.619 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.716 HD11 ' CE2' ' A' ' 84' ' ' PHE . 75.0 mt -70.35 -38.2 74.77 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.484 -0.76 . . . . 0.0 109.787 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -78.91 -33.18 45.74 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.636 -0.665 . . . . 0.0 110.644 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.56 -41.78 68.65 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -31.18 68.99 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.02 -44.56 79.95 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.6 -0.687 . . . . 0.0 109.559 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -61.53 -41.8 97.86 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.637 -0.664 . . . . 0.0 109.391 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -65.18 -43.59 91.19 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 121.522 -0.736 . . . . 0.0 109.279 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 53' ' ' ILE . 73.8 mt -62.9 -33.88 76.25 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.879 -0.513 . . . . 0.0 110.011 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.474 ' HG2' HG13 ' A' ' 100' ' ' ILE . 35.8 tt0 -75.72 -33.46 60.29 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 121.51 -0.744 . . . . 0.0 109.726 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.48 -43.7 68.4 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.479 -0.763 . . . . 0.0 109.584 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.561 ' SG ' HD13 ' A' ' 53' ' ' ILE . 51.5 m -62.51 -44.63 95.89 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.482 -0.761 . . . . 0.0 109.322 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.75 -38.27 81.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 O-C-N 121.862 -0.524 . . . . 0.0 110.462 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.474 HG13 ' HG2' ' A' ' 96' ' ' GLU . 96.9 mt -62.8 -51.12 76.0 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 O-C-N 121.332 -0.855 . . . . 0.0 109.559 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -72.52 -177.04 2.09 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.742 -0.599 . . . . 0.0 110.173 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.02 -15.69 65.4 Favored Glycine 0 CA--C 1.538 1.529 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.633 HG11 ' SG ' ' A' ' 1' ' ' CYS . 2.9 t -67.34 160.32 4.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 O-C-N 121.113 -1.228 . . . . 0.0 109.13 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.97 -104.63 0.26 Allowed Glycine 0 C--O 1.215 -1.04 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.701 HG11 ' HG3' ' A' ' 112' ' ' LYS . 27.6 m -120.46 156.48 23.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 O-C-N 121.417 -1.049 . . . . 0.0 110.242 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 43.8 p -114.89 -147.81 0.42 Allowed 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 108' ' ' THR . 46.4 mt-10 -50.43 -22.83 2.06 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.646 -0.659 . . . . 0.0 110.969 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 107' ' ' GLU . 32.7 m -29.03 128.82 0.23 Allowed Pre-proline 0 N--CA 1.478 0.941 0 O-C-N 122.045 -0.409 . . . . 0.0 111.515 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.75 174.66 7.28 Favored 'Trans proline' 0 C--N 1.352 0.715 0 O-C-N 124.153 1.607 . . . . 0.0 111.686 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 110' ' ' LEU . 34.3 tp -50.08 -13.25 0.1 Allowed 'General case' 0 CA--C 1.548 0.883 0 O-C-N 121.913 -0.492 . . . . 0.0 111.586 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -51.67 -22.45 3.44 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.919 -1.113 . . . . 0.0 110.263 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.701 ' HG3' HG11 ' A' ' 105' ' ' VAL . 3.6 tmmm? -57.34 -50.74 72.0 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 121.219 -0.925 . . . . 0.0 108.647 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.41 -31.14 72.22 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 121.616 -0.678 . . . . 0.0 109.246 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.26 -28.67 69.34 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 121.447 -0.783 . . . . 0.0 109.854 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.55 ' CA ' ' HG2' ' A' ' 42' ' ' GLU . 32.4 t -71.24 -40.13 71.24 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 121.267 -0.895 . . . . 0.0 108.773 178.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.769 HG12 ' HA ' ' A' ' 55' ' ' VAL . 28.0 mt -75.23 -37.88 40.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -32.24 73.84 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.658 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -67.26 -48.99 66.09 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.15 -26.59 40.16 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.9 ttm-85 -71.54 -44.18 65.06 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.203 -0.935 . . . . 0.0 109.886 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -73.13 -30.94 63.97 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.302 -0.874 . . . . 0.0 109.289 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.668 ' CE2' HD11 ' A' ' 126' ' ' ILE . 36.1 t80 -67.03 -47.93 69.88 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.563 -0.71 . . . . 0.0 109.167 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -69.25 -27.53 65.53 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 121.702 -0.624 . . . . 0.0 109.827 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -63.93 -40.53 96.68 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 125' ' ' ARG . 31.6 tpt180 -67.59 -39.06 84.84 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.668 HD11 ' CE2' ' A' ' 122' ' ' TYR . 64.6 mt -59.99 -40.78 84.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 24.8 m -65.63 -42.07 91.9 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 128' ' ' LEU . 1.3 tt -63.44 -37.01 85.64 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 121.453 -0.779 . . . . 0.0 109.443 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.432 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 19.9 t80 -64.69 -38.23 90.29 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.1 mt -66.31 -37.9 86.45 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 127' ' ' THR . 32.0 mmtp -69.12 -32.26 71.53 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.98 -50.88 60.89 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.562 -0.712 . . . . 0.0 109.997 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.553 ' HB3' ' CB ' ' A' ' 136' ' ' SER . 5.5 mptp? -83.99 4.43 29.85 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.718 -0.614 . . . . 0.0 110.022 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 54.82 48.32 20.36 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.428 -0.795 . . . . 0.0 109.231 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 58.28 56.59 4.38 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.596 -0.69 . . . . 0.0 109.881 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.553 ' CB ' ' HB3' ' A' ' 133' ' ' LYS . 46.9 t -83.95 148.94 55.2 Favored Pre-proline 0 C--O 1.216 -0.687 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.41 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.4 Cg_endo -65.26 -33.15 49.8 Favored 'Trans proline' 0 C--N 1.353 0.773 0 O-C-N 123.66 1.347 . . . . 0.0 111.176 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -69.98 -42.71 72.74 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.456 -0.778 . . . . 0.0 108.959 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.541 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -65.23 -40.04 93.55 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 76' ' ' TRP . 17.2 m95 -63.2 -36.7 84.52 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.708 -0.62 . . . . 0.0 109.811 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.571 ' HG3' HG13 ' A' ' 24' ' ' ILE . 15.8 tm-20 -65.58 -41.99 92.25 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.609 HG21 ' O ' ' A' ' 32' ' ' ASP . 64.1 t -63.23 -35.63 72.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 139' ' ' ALA . 59.5 t -75.6 -23.92 16.84 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 121.689 -0.632 . . . . 0.0 109.523 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.495 ' HA ' ' NH1' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -66.45 -54.25 26.22 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.619 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.31 78.03 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.447 ' HB3' ' OH ' ' A' ' 122' ' ' TYR . 5.8 mm-40 -70.01 -35.82 74.66 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.622 -0.674 . . . . 0.0 110.407 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 11.3 mm -76.24 -30.98 20.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 109.869 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.423 ' HE1' ' HB2' ' A' ' 19' ' ' ALA . 30.0 ttm -72.52 -38.98 67.91 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.392 -0.818 . . . . 0.0 109.12 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -73.38 -46.85 46.54 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.539 -0.725 . . . . 0.0 109.513 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.7 m -60.91 -42.98 99.15 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.711 -0.618 . . . . 0.0 109.952 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.817 ' HB3' HD21 ' A' ' 15' ' ' LEU . 51.3 t80 -66.31 -41.45 89.67 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.419 -0.8 . . . . 0.0 110.103 -179.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.2 p -68.34 -31.7 71.28 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.372 -0.83 . . . . 0.0 109.438 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.439 HD22 ' HG3' ' A' ' 40' ' ' GLN . 33.2 mt -69.41 -40.94 77.0 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.456 -0.778 . . . . 0.0 109.608 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.607 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 74.4 m -73.68 -30.36 62.84 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.716 -0.615 . . . . 0.0 110.322 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.591 HG21 ' CE2' ' A' ' 151' ' ' PHE . 81.8 p -97.86 -0.75 44.48 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.217 -0.927 . . . . 0.0 111.008 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.63 1.69 25.26 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 120.822 -1.174 . . . . 0.0 110.372 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.912 HD11 ' HA2' ' A' ' 44' ' ' GLY . 4.3 mm? -69.35 -28.84 66.56 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 120.961 -1.087 . . . . 0.0 110.068 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -79.91 -35.01 38.52 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.207 -0.933 . . . . 0.0 109.634 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 160' ' ' SER . 36.6 tp10 -82.51 -28.84 30.84 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.326 -0.859 . . . . 0.0 109.957 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.526 ' C ' ' O ' ' A' ' 159' ' ' GLU . 74.0 m 2.75 87.35 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.929 0.892 . . . . 0.0 112.41 -178.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.443 HD23 ' C ' ' A' ' 161' ' ' LEU . 4.4 tt -61.46 101.55 0.18 Allowed 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.25 -49.03 0.13 Allowed 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.421 -0.799 . . . . 0.0 109.013 -178.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 80.7 p -64.69 159.54 21.91 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.558 -0.714 . . . . 0.0 109.726 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -98.22 52.35 1.04 Allowed 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.427 -0.796 . . . . 0.0 109.632 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.417 179.609 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.584 ' HB2' HG21 ' A' ' 103' ' ' VAL . 3.1 t . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.515 0.674 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -113.13 66.23 0.65 Allowed 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 121.314 0.578 . . . . 0.0 109.86 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.631 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.2 mm? -83.14 -56.79 0.45 Allowed Pre-proline 0 C--O 1.216 -0.665 0 O-C-N 121.422 -0.798 . . . . 0.0 108.949 178.316 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 54.6 Cg_endo -81.69 156.01 18.37 Favored 'Trans proline' 0 C--N 1.355 0.888 0 O-C-N 123.584 1.307 . . . . 0.0 110.458 178.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -114.68 77.73 1.09 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.303 -0.873 . . . . 0.0 108.934 179.38 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.1 p -122.25 -23.94 5.18 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.5 -0.75 . . . . 0.0 110.875 -178.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -86.59 -179.51 6.62 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 120.978 -1.076 . . . . 0.0 110.045 -178.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -103.05 177.7 4.76 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 121.611 -0.681 . . . . 0.0 109.473 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.8 mm? -82.28 105.21 13.17 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.88 -30.32 63.73 Favored Glycine 0 CA--C 1.534 1.248 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' HG21 ' A' ' 155' ' ' THR . 60.9 p -62.77 -41.26 99.16 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.434 -1.039 . . . . 0.0 109.841 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.81 -38.31 88.6 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.611 -0.681 . . . . 0.0 109.647 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -70.21 -36.22 74.41 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 121.384 -0.823 . . . . 0.0 109.735 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.1 m -60.34 -45.58 92.95 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.429 -0.794 . . . . 0.0 109.116 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 151' ' ' PHE . 21.6 mt -67.19 -34.43 77.51 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.738 -0.601 . . . . 0.0 109.439 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -63.12 -37.93 89.16 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.315 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' A' ' 84' ' ' PHE . 85.2 mt -61.76 -43.62 98.5 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.625 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 76.8 mt -58.16 -35.05 70.97 Favored 'General case' 0 C--O 1.216 -0.669 0 O-C-N 121.708 -0.62 . . . . 0.0 109.839 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.37 -34.67 72.87 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.41 -0.807 . . . . 0.0 109.814 179.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.76 -50.32 44.46 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.314 -0.866 . . . . 0.0 110.496 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -63.78 -18.17 63.81 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.359 -0.838 . . . . 0.0 110.934 -178.581 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttp85 -52.28 109.07 0.35 Allowed 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.244 -0.91 . . . . 0.0 109.418 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 0.9 OUTLIER -92.88 -36.75 12.64 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.698 -0.626 . . . . 0.0 109.811 -179.738 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.734 HD12 ' SG ' ' A' ' 29' ' ' CYS . 3.2 pt -124.07 170.38 14.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 O-C-N 121.541 -0.724 . . . . 0.0 110.002 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -104.01 159.9 15.28 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.61 -0.681 . . . . 0.0 109.875 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' HG22 ' A' ' 142' ' ' VAL . 36.7 tp -68.82 -28.11 66.46 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.16 -37.97 78.49 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.487 -0.758 . . . . 0.0 109.119 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.7 m -68.2 -28.7 67.49 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.408 -0.807 . . . . 0.0 108.885 177.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.734 ' SG ' HD12 ' A' ' 24' ' ' ILE . 58.2 m -109.57 51.87 0.74 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 121.599 -0.688 . . . . 0.0 109.96 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD23 ' HD3' ' A' ' 33' ' ' ARG . 72.2 mt -81.31 -2.67 49.94 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 179.072 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -79.02 -33.53 44.77 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.628 ' O ' HG21 ' A' ' 142' ' ' VAL . 1.9 m-20 -111.08 25.32 11.88 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.875 -0.516 . . . . 0.0 109.779 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HD3' HD23 ' A' ' 30' ' ' LEU . 60.6 ttp180 -74.3 112.13 10.16 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 120.973 -1.079 . . . . 0.0 109.071 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -146.25 115.0 6.86 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -78.52 129.1 34.46 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' HB2' ' CE1' ' A' ' 122' ' ' TYR . 71.8 m-85 -75.27 -44.77 44.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.534 -0.729 . . . . 0.0 109.703 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.87 78.61 1.02 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 91.8 t80 -67.46 133.67 92.94 Favored Pre-proline 0 C--O 1.217 -0.61 0 O-C-N 121.621 -0.929 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.61 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 52.3 Cg_endo -82.43 70.82 6.8 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 O-C-N 123.718 1.378 . . . . 0.0 111.091 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -73.53 -15.71 61.29 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 177.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.35 -33.1 69.18 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.27 -0.894 . . . . 0.0 109.494 178.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.636 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 28.9 tp10 -93.84 24.37 4.23 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.326 -0.858 . . . . 0.0 109.515 178.594 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.511 ' O ' HD11 ' A' ' 157' ' ' LEU . 17.1 m-85 -133.27 9.02 4.03 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 121.243 -0.911 . . . . 0.0 109.759 178.602 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.407 ' HA2' HD11 ' A' ' 157' ' ' LEU . . . -98.55 -92.76 1.99 Allowed Glycine 0 C--O 1.217 -0.949 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -178.552 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 53.7 t30 -67.39 147.95 52.24 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.86 -0.788 . . . . 0.0 109.356 -179.306 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 87.8 mm-40 70.86 12.22 7.12 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.935 -0.478 . . . . 0.0 109.834 -178.034 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 67.3 m-85 -146.69 35.56 0.95 Allowed 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.485 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -95.84 31.05 2.18 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.18 -0.95 . . . . 0.0 110.617 -178.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HG3' ' HG2' ' A' ' 51' ' ' GLU . 54.7 pttt -177.09 -133.46 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.173 -0.954 . . . . 0.0 109.104 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.775 ' HB1' HD11 ' A' ' 53' ' ' ILE . . . -89.71 54.28 2.82 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.049 -1.032 . . . . 0.0 109.24 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.544 ' HG2' ' HG3' ' A' ' 49' ' ' LYS . 6.9 mm-40 -114.15 -37.28 4.46 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.378 -0.826 . . . . 0.0 109.699 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 11.5 t -89.28 17.32 6.18 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.667 -0.645 . . . . 0.0 110.053 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.804 HG23 HD23 ' A' ' 95' ' ' LEU . 71.3 mt -60.67 -44.63 95.86 Favored Pre-proline 0 C--O 1.214 -0.803 0 O-C-N 121.159 -0.963 . . . . 0.0 110.87 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.8 Cg_endo -64.66 -29.19 60.43 Favored 'Trans proline' 0 C--N 1.356 0.969 0 O-C-N 123.096 1.051 . . . . 0.0 109.956 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.643 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.3 t -75.52 -38.32 38.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.54 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.568 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 63.3 mt -69.25 -27.08 65.13 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 121.508 -0.745 . . . . 0.0 109.15 178.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -71.57 -46.02 60.59 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.322 -0.861 . . . . 0.0 109.261 -179.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HB3' HG23 ' A' ' 116' ' ' ILE . 2.0 mp0 -76.72 -26.63 54.86 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.443 -0.785 . . . . 0.0 110.07 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.419 ' HG3' HG11 ' A' ' 119' ' ' VAL . 13.9 ttt -73.89 -44.52 55.04 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.186 -0.946 . . . . 0.0 108.869 179.19 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.423 HG12 ' HE2' ' A' ' 151' ' ' PHE . 6.5 mt -71.44 -23.8 23.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.067 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -71.67 -37.18 70.79 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 176.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.94 -40.12 79.17 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 121.656 -0.653 . . . . 0.0 109.309 178.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.489 HG23 ' CE1' ' A' ' 67' ' ' PHE . 77.6 mt -70.25 -30.82 44.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.647 ' HA ' HD13 ' A' ' 88' ' ' LEU . 26.1 t80 -62.65 -46.7 87.01 Favored 'General case' 0 C--O 1.21 -0.98 0 O-C-N 121.445 -0.784 . . . . 0.0 109.791 -179.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 69' ' ' THR . 74.6 m-80 -79.63 -32.92 41.77 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.54 -0.725 . . . . 0.0 110.008 -179.024 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 130' ' ' LEU . 45.4 tp -62.41 -31.69 72.42 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.49 -0.756 . . . . 0.0 109.52 179.427 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE1' HG23 ' A' ' 63' ' ' ILE . 18.5 m-85 -99.18 -25.27 14.58 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.549 -0.719 . . . . 0.0 110.055 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.485 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 10.0 t -73.82 -16.55 61.14 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.985 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 65' ' ' ASN . 15.7 p -56.9 149.08 19.35 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.265 -0.897 . . . . 0.0 109.953 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.98 -24.75 68.05 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 179.3 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 7.6 m-20 -72.31 -42.98 64.84 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.492 -0.755 . . . . 0.0 109.444 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -72.08 -34.64 68.84 Favored 'General case' 0 C--O 1.215 -0.739 0 O-C-N 121.425 -0.797 . . . . 0.0 109.344 179.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' ' 81' ' ' LEU . 26.7 t -64.91 -31.36 72.56 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.702 -0.624 . . . . 0.0 109.59 179.239 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.44 -30.26 27.42 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.19 77.41 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.648 -0.658 . . . . 0.0 109.964 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.484 ' CE3' ' HD3' ' A' ' 23' ' ' LYS . 69.7 m95 -106.2 173.99 6.08 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -178.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.15 131.24 43.27 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -62.83 -27.89 69.64 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 121.491 -0.756 . . . . 0.0 110.625 -178.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.9 m -77.95 -44.08 27.87 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.093 -1.005 . . . . 0.0 108.949 179.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 80' ' ' LEU . 92.4 mt -63.56 -37.38 87.11 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.807 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 73' ' ' SER . 10.7 mt -72.23 -32.69 66.94 Favored 'General case' 0 C--O 1.211 -0.954 0 O-C-N 121.657 -0.652 . . . . 0.0 109.244 177.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -56.14 -51.67 67.13 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -64.26 -34.87 79.11 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.178 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 88' ' ' LEU . 22.2 t80 -64.06 -30.79 71.84 Favored 'General case' 0 C--O 1.213 -0.83 0 O-C-N 121.756 -0.59 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 21.4 m-85 -73.81 -36.62 65.0 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.233 -0.917 . . . . 0.0 108.822 178.291 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.5 m -67.77 -38.43 83.38 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.76 -0.588 . . . . 0.0 109.637 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -71.12 -37.21 72.34 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.239 -0.913 . . . . 0.0 109.639 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 64' ' ' PHE . 75.0 mt -67.39 -38.9 85.41 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.522 -0.736 . . . . 0.0 109.737 179.286 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -77.08 -34.48 56.93 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.532 -0.73 . . . . 0.0 110.631 -177.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -71.05 -39.92 71.99 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.039 -1.038 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -68.19 -31.95 71.84 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.18 -48.49 70.52 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.63 -0.668 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -59.13 -39.28 81.85 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.677 -0.64 . . . . 0.0 110.002 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.9 -43.94 82.1 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.38 -0.825 . . . . 0.0 108.94 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.804 HD23 HG23 ' A' ' 53' ' ' ILE . 60.1 mt -62.18 -32.2 72.81 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 121.035 0.445 . . . . 0.0 110.068 179.507 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.542 ' O ' HG12 ' A' ' 100' ' ' ILE . 35.1 tt0 -78.01 -35.95 49.32 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 121.465 -0.772 . . . . 0.0 109.557 179.83 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.61 -41.63 66.84 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 121.649 -0.657 . . . . 0.0 109.627 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.785 ' SG ' HD13 ' A' ' 53' ' ' ILE . 87.7 m -59.82 -44.58 93.97 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.525 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.25 -30.05 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.158 -179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 96' ' ' GLU . 37.8 mm -69.42 -52.13 35.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 O-C-N 121.173 -0.954 . . . . 0.0 110.507 -178.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -83.69 34.7 0.49 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.223 -0.923 . . . . 0.0 111.458 -176.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 42.93 51.75 5.84 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.592 ' O ' HG22 ' A' ' 105' ' ' VAL . 75.9 t -78.7 166.91 2.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 121.388 -1.066 . . . . 0.0 108.734 179.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.529 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -40.26 104.51 0.04 OUTLIER Glycine 0 CA--C 1.537 1.423 0 O-C-N 121.674 -0.641 . . . . 0.0 111.676 -177.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 103' ' ' VAL . 24.1 m -152.66 -179.56 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.347 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.442 ' O ' ' HD2' ' A' ' 112' ' ' LYS . 37.7 p -126.51 149.78 49.16 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 121.2 -0.937 . . . . 0.0 109.475 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -100.58 -38.77 8.22 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.6 p -78.97 147.49 70.22 Favored Pre-proline 0 C--O 1.217 -0.616 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -73.19 89.79 0.9 Allowed 'Trans proline' 0 C--O 1.217 -0.573 0 O-C-N 123.58 1.305 . . . . 0.0 111.553 -178.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.8 tp -122.77 -64.48 1.18 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 ptm -111.57 -23.43 10.7 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 13.9 ptmm? -68.74 -38.5 80.21 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 121.374 -0.829 . . . . 0.0 110.625 -179.222 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 52.6 tt0 -97.72 -39.35 9.1 Favored 'General case' 0 C--O 1.208 -1.115 0 O-C-N 121.186 -0.946 . . . . 0.0 110.323 -178.079 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -60.08 -36.22 76.89 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.196 -0.94 . . . . 0.0 110.458 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.636 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 6.4 t -74.14 -44.9 51.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.174 -0.954 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.643 HG12 ' HA ' ' A' ' 55' ' ' VAL . 75.6 mt -68.76 -32.51 55.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 O-C-N 121.26 -0.9 . . . . 0.0 109.13 178.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 2.8 tt -64.83 -39.44 93.58 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.61 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -63.23 -49.17 75.21 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 59' ' ' MET . 95.9 t -64.4 -24.81 36.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 121.706 -0.621 . . . . 0.0 109.381 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 124' ' ' GLN . 35.2 mtt-85 -72.23 -41.48 66.77 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.214 -0.929 . . . . 0.0 109.785 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -70.13 -32.57 70.64 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.366 -0.834 . . . . 0.0 108.881 178.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 64.6 t80 -65.64 -51.24 61.13 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -71.46 -21.76 61.92 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 121.864 -0.523 . . . . 0.0 110.288 179.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 120' ' ' ARG . 35.8 tt0 -67.3 -41.36 85.51 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.023 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -68.42 -37.36 80.22 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.505 HD11 ' CE2' ' A' ' 122' ' ' TYR . 61.6 mt -65.4 -37.77 80.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 121.606 -0.684 . . . . 0.0 109.475 178.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.0 m -69.7 -41.65 75.1 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.471 -0.768 . . . . 0.0 109.34 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -67.96 -31.11 70.6 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.145 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 27.6 t80 -65.99 -37.9 87.12 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.41 -0.806 . . . . 0.0 109.157 178.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.574 ' CD1' HD11 ' A' ' 66' ' ' LEU . 71.9 mt -68.54 -41.41 79.87 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.688 -0.633 . . . . 0.0 109.439 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -69.54 -29.07 66.58 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.666 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -71.47 -49.69 38.89 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.39 -0.818 . . . . 0.0 109.967 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 14.3 mptt -82.71 3.4 29.27 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.554 -0.716 . . . . 0.0 109.805 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp 55.22 49.1 17.95 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 121.441 -0.787 . . . . 0.0 109.67 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 79.0 m-85 55.82 54.49 8.1 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 121.452 0.644 . . . . 0.0 110.167 179.325 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.424 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 38.9 t -79.58 149.86 72.18 Favored Pre-proline 0 C--O 1.215 -0.735 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.424 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 36.5 Cg_endo -63.04 -37.23 54.33 Favored 'Trans proline' 0 C--N 1.351 0.69 0 O-C-N 123.643 1.338 . . . . 0.0 110.744 179.349 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.66 -39.58 73.49 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -62.72 -42.24 99.55 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.597 -0.69 . . . . 0.0 109.169 178.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -65.57 -34.07 77.4 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.59 -0.693 . . . . 0.0 109.754 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.614 ' CG ' HG13 ' A' ' 24' ' ' ILE . 2.9 tm-20 -63.68 -47.6 80.56 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.302 -0.874 . . . . 0.0 108.727 179.105 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.628 HG21 ' O ' ' A' ' 32' ' ' ASP . 75.5 t -60.0 -42.63 90.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.494 HG13 ' CG2' ' A' ' 126' ' ' ILE . 64.0 t -69.05 -23.27 26.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 O-C-N 121.698 -0.626 . . . . 0.0 109.587 178.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.438 ' HB2' ' CH2' ' A' ' 76' ' ' TRP . 29.7 ttp85 -70.12 -47.89 59.85 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.193 -0.942 . . . . 0.0 108.779 179.225 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.28 71.14 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.204 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.8 -35.42 69.96 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 121.623 -0.673 . . . . 0.0 109.986 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 15.9 mm -77.75 -33.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 O-C-N 121.416 -0.802 . . . . 0.0 109.459 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.69 -40.17 69.72 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 121.416 -0.803 . . . . 0.0 108.903 179.191 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -69.36 -44.34 71.77 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 121.676 -0.64 . . . . 0.0 109.403 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.53 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 78.7 p -63.02 -41.92 99.67 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 121.869 -0.519 . . . . 0.0 109.957 -179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.748 ' HB3' HD21 ' A' ' 15' ' ' LEU . 41.1 t80 -69.41 -37.78 77.61 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.431 -0.793 . . . . 0.0 109.603 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.8 m -68.91 -34.2 75.0 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.335 -0.853 . . . . 0.0 109.313 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.442 HD13 ' HD2' ' A' ' 38' ' ' PHE . 36.5 mt -66.24 -47.6 73.22 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.286 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.568 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 71.8 m -64.71 -36.64 84.93 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.972 -0.455 . . . . 0.0 110.362 -179.072 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 11' ' ' SER . 65.5 p -90.15 -4.65 57.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.372 -0.83 . . . . 0.0 110.607 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -71.37 -12.09 61.24 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.062 -1.024 . . . . 0.0 109.89 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 43' ' ' PHE . 4.2 mm? -65.58 -29.77 70.41 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.206 -0.934 . . . . 0.0 109.607 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -61.08 -40.3 93.16 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.414 -0.803 . . . . 0.0 109.257 179.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 161' ' ' LEU . 8.9 pt-20 -160.31 117.79 2.52 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 27.1 t -92.59 73.15 5.09 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 121.441 0.638 . . . . 0.0 109.488 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.556 ' CD1' ' HB2' ' A' ' 159' ' ' GLU . 10.5 mp -88.85 143.55 26.81 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.448 -0.783 . . . . 0.0 109.659 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -118.65 53.89 0.97 Allowed 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.5 p -109.68 74.42 0.89 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 121.39 -0.819 . . . . 0.0 109.017 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -111.89 51.85 0.78 Allowed 'General case' 0 C--O 1.219 -0.521 0 O-C-N 121.431 -0.793 . . . . 0.0 109.325 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.532 179.96 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.593 ' CB ' HG21 ' A' ' 103' ' ' VAL . 2.9 t . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.586 0.707 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -95.98 63.22 2.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.551 0.691 . . . . 0.0 109.413 -179.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.572 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 4.5 mm? -77.31 -55.31 1.36 Allowed Pre-proline 0 C--O 1.216 -0.662 0 O-C-N 121.484 -0.76 . . . . 0.0 109.193 179.206 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 51.9 Cg_endo -77.79 156.08 31.09 Favored 'Trans proline' 0 C--N 1.354 0.858 0 O-C-N 123.536 1.282 . . . . 0.0 110.004 178.461 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -93.91 61.66 3.04 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.385 -0.822 . . . . 0.0 109.082 179.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.2 p -137.27 24.42 2.97 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.58 -0.7 . . . . 0.0 109.906 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -99.64 -175.57 3.02 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.076 -1.015 . . . . 0.0 109.428 179.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.5 p -151.6 -174.72 4.93 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.492 -0.755 . . . . 0.0 109.422 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? -87.1 87.28 7.41 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 121.233 -0.917 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.37 -28.4 73.69 Favored Glycine 0 CA--C 1.536 1.35 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.82 ' HB3' HG21 ' A' ' 155' ' ' THR . 69.9 m -63.6 -33.19 75.06 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.623 -0.927 . . . . 0.0 109.698 178.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.1 -38.21 87.67 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.419 -0.8 . . . . 0.0 109.557 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 66.4 ttt180 -70.18 -39.39 75.29 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.395 -0.816 . . . . 0.0 109.38 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -59.08 -42.58 90.74 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.561 -0.712 . . . . 0.0 109.15 178.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.918 HD21 ' HB3' ' A' ' 151' ' ' PHE . 81.4 mt -69.04 -34.09 74.66 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.735 -0.603 . . . . 0.0 109.528 178.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.9 ttp -61.61 -36.19 80.01 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 87' ' ' GLU . 79.4 mt -64.6 -44.09 91.72 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.449 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.765 HD12 HD23 ' A' ' 15' ' ' LEU . 57.0 mt -58.74 -28.89 66.29 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 121.957 -0.464 . . . . 0.0 110.018 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.34 -42.73 35.54 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.443 -0.785 . . . . 0.0 109.636 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.14 -29.37 69.65 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.517 -0.739 . . . . 0.0 110.243 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.673 ' HE2' ' HD2' ' A' ' 144' ' ' ARG . 5.2 ptm -90.53 31.31 1.04 Allowed 'General case' 0 C--O 1.208 -1.086 0 O-C-N 121.36 -0.838 . . . . 0.0 110.48 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -100.99 112.34 24.77 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 176.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HD3' ' CE3' ' A' ' 76' ' ' TRP . 4.6 mptp? -87.96 -31.88 19.16 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.486 -0.759 . . . . 0.0 109.986 -178.168 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.939 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.9 pt -129.03 169.81 19.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 O-C-N 121.503 -0.748 . . . . 0.0 110.488 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -97.76 155.43 17.03 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.583 -0.698 . . . . 0.0 109.738 -179.371 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HA ' ' OE1' ' A' ' 141' ' ' GLU . 43.4 tp -66.81 -30.31 70.47 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -70.41 -35.5 73.48 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 m -69.33 -29.92 67.86 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.939 ' SG ' HD12 ' A' ' 24' ' ' ILE . 19.6 m -106.58 50.39 0.77 Allowed 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.446 -0.784 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD23 ' HD3' ' A' ' 33' ' ' ARG . 69.0 mt -80.07 -2.86 46.17 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.106 -0.996 . . . . 0.0 110.107 178.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -80.06 -27.26 39.4 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.594 ' O ' HG21 ' A' ' 142' ' ' VAL . 2.6 m-20 -113.72 26.88 9.99 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.631 -0.668 . . . . 0.0 109.897 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HD3' HD23 ' A' ' 30' ' ' LEU . 58.5 ttp180 -76.0 120.61 21.56 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 121.069 -1.02 . . . . 0.0 108.8 179.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -146.55 134.46 21.35 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 121.531 -0.73 . . . . 0.0 109.464 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -85.8 124.32 32.17 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.562 -0.711 . . . . 0.0 109.153 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 63.7 m-85 -82.3 -50.89 8.45 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.532 -0.73 . . . . 0.0 109.673 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.43 71.73 0.76 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.54 ' HA ' ' CD1' ' A' ' 122' ' ' TYR . 84.7 t80 -74.07 135.6 76.71 Favored Pre-proline 0 C--O 1.217 -0.609 0 O-C-N 121.517 -0.99 . . . . 0.0 109.489 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.608 ' CB ' ' HB1' ' A' ' 118' ' ' ALA . 55.6 Cg_endo -86.24 78.41 2.15 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 O-C-N 123.877 1.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 153' ' ' LEU . 1.2 tm0? -83.1 -12.92 56.63 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.188 -0.945 . . . . 0.0 109.573 178.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.15 -25.28 67.66 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.009 -1.057 . . . . 0.0 108.971 177.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' HG2' ' HA ' ' A' ' 115' ' ' SER . 3.8 tp10 -90.72 17.11 8.04 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.465 -0.772 . . . . 0.0 109.271 177.658 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.625 ' CD2' HG21 ' A' ' 52' ' ' THR . 29.7 m-85 -131.26 43.25 3.11 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.33 -0.856 . . . . 0.0 108.805 179.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.19 -95.09 0.56 Allowed Glycine 0 C--O 1.217 -0.921 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -178.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 6.8 m120 -78.66 147.43 33.56 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.721 -0.87 . . . . 0.0 108.886 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 93.4 mm-40 66.34 13.32 9.15 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.709 -0.619 . . . . 0.0 109.455 -177.022 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 115' ' ' SER . 86.3 m-85 -145.39 60.48 1.29 Allowed 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.059 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -155.7 165.07 37.64 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.443 -0.786 . . . . 0.0 109.167 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 tttt 66.47 53.65 0.95 Allowed 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -179.14 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.58 26.9 14.85 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.661 -0.65 . . . . 0.0 111.186 179.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -98.58 -28.88 13.37 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 120.92 -1.113 . . . . 0.0 110.218 179.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.625 HG21 ' CD2' ' A' ' 43' ' ' PHE . 2.0 m -86.92 3.45 45.6 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 121.64 -0.662 . . . . 0.0 110.081 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.867 HG23 HD23 ' A' ' 95' ' ' LEU . 57.0 mt -55.13 -42.15 94.4 Favored Pre-proline 0 C--O 1.212 -0.889 0 O-C-N 121.19 -0.944 . . . . 0.0 111.439 -179.012 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 37.5 Cg_endo -65.87 -33.11 44.11 Favored 'Trans proline' 0 C--N 1.356 0.952 0 O-C-N 123.035 1.018 . . . . 0.0 110.942 179.11 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.787 ' HA ' HG12 ' A' ' 116' ' ' ILE . 8.6 t -76.35 -37.3 31.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.647 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 69.2 mt -68.1 -31.46 71.09 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 121.6 -0.687 . . . . 0.0 109.206 179.238 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 60.0 t-80 -68.6 -50.49 51.13 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.683 ' HG2' HG21 ' A' ' 116' ' ' ILE . 30.0 tp10 -64.98 -37.2 86.88 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.522 -0.736 . . . . 0.0 109.588 -179.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.5 ttt -61.05 -48.07 83.46 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.331 -0.856 . . . . 0.0 108.715 178.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.632 HG21 ' HG ' ' A' ' 92' ' ' LEU . 2.0 mm -57.4 -29.54 33.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.779 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -51.87 43.05 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 178.819 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -60.53 -34.88 74.77 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 121.337 -0.852 . . . . 0.0 110.413 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.496 HG23 ' CE1' ' A' ' 67' ' ' PHE . 71.1 mt -73.26 -33.53 41.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 O-C-N 121.214 -0.929 . . . . 0.0 108.543 178.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.696 ' HA ' HD13 ' A' ' 88' ' ' LEU . 33.7 t80 -61.74 -46.98 87.29 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 121.419 -0.801 . . . . 0.0 109.653 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 69' ' ' THR . 2.4 t-20 -75.64 -38.32 58.96 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.638 -0.664 . . . . 0.0 109.539 -179.505 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 130' ' ' LEU . 32.4 tp -59.55 -31.98 69.92 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.455 -0.778 . . . . 0.0 109.213 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.496 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.0 m-85 -96.76 -18.31 19.7 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.684 -0.635 . . . . 0.0 109.906 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 12.3 t -86.85 -15.23 39.76 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.066 179.472 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 65' ' ' ASN . 12.4 p -54.47 148.21 12.52 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.301 -0.874 . . . . 0.0 109.814 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -63.52 -26.09 68.55 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.515 -0.741 . . . . 0.0 109.597 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' HB3' ' CD1' ' A' ' 135' ' ' TYR . 42.6 m-20 -72.56 -39.97 67.02 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.474 -0.766 . . . . 0.0 109.222 178.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.561 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 97.5 p -76.72 -31.15 56.98 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.542 -0.723 . . . . 0.0 109.814 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.501 ' HA ' HD12 ' A' ' 81' ' ' LEU . 32.5 t -68.27 -32.15 72.11 Favored 'General case' 0 C--O 1.217 -0.642 0 O-C-N 121.529 -0.732 . . . . 0.0 109.674 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.56 -21.09 28.69 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.551 -0.718 . . . . 0.0 109.46 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.08 -26.59 48.25 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 121.377 -0.827 . . . . 0.0 110.17 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' A' ' 21' ' ' MET . 66.4 m95 -124.69 163.49 21.93 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.348 -0.845 . . . . 0.0 109.88 -178.146 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.27 129.37 40.91 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.277 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 16.0 pt-20 -62.39 -24.99 67.69 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.61 -0.681 . . . . 0.0 110.248 -179.164 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.5 m -78.72 -44.73 22.82 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.175 -0.953 . . . . 0.0 108.85 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 80' ' ' LEU . 76.9 mt -63.36 -39.92 95.85 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 73' ' ' SER . 10.3 mt -70.04 -33.3 71.8 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.499 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 11.4 t70 -55.31 -52.36 63.73 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 60.2 mmtt -64.04 -32.3 73.8 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.723 ' CE2' HD11 ' A' ' 88' ' ' LEU . 27.3 t80 -64.72 -33.66 76.49 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 121.614 -0.678 . . . . 0.0 109.457 178.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 81' ' ' LEU . 18.8 m-85 -72.73 -37.08 67.86 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.205 -0.935 . . . . 0.0 109.194 178.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.6 m -66.87 -40.79 87.95 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.772 ' HG3' HD11 ' A' ' 17' ' ' LEU . 77.6 mm-40 -70.69 -30.0 66.45 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.298 -0.876 . . . . 0.0 109.456 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.723 HD11 ' CE2' ' A' ' 84' ' ' PHE . 70.7 mt -71.66 -42.1 67.92 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 121.526 -0.733 . . . . 0.0 109.926 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.506 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 16.6 t80 -77.11 -31.61 55.94 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.393 -0.817 . . . . 0.0 109.919 -178.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -69.35 -45.43 69.4 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.191 -0.943 . . . . 0.0 108.531 178.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.01 -28.91 68.63 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.008 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.632 ' HG ' HG21 ' A' ' 60' ' ' ILE . 10.8 mt -70.17 -34.05 72.52 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.555 -0.716 . . . . 0.0 109.385 178.061 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -71.06 -41.92 70.11 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.575 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.22 -43.29 74.37 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.363 -0.836 . . . . 0.0 109.287 179.228 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.867 HD23 HG23 ' A' ' 53' ' ' ILE . 71.2 mt -61.53 -37.2 82.88 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.864 -0.522 . . . . 0.0 109.89 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.521 ' O ' HG12 ' A' ' 100' ' ' ILE . 5.6 tp10 -75.3 -36.77 61.09 Favored 'General case' 0 C--O 1.212 -0.881 0 O-C-N 121.389 -0.819 . . . . 0.0 109.665 179.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.9 73.38 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.655 -0.653 . . . . 0.0 109.588 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.7 ' SG ' HD13 ' A' ' 53' ' ' ILE . 74.5 m -59.38 -43.29 92.93 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.573 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.55 HG22 HG11 ' A' ' 105' ' ' VAL . 65.3 t -65.47 -33.77 65.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 96' ' ' GLU . 43.5 mm -64.92 -54.1 33.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 121.284 -0.885 . . . . 0.0 109.77 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.476 ' HB2' HG23 ' A' ' 103' ' ' VAL . 84.4 mm-40 -71.6 -179.75 2.71 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.58 -0.7 . . . . 0.0 110.067 -178.11 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.48 45.47 3.26 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.593 HG21 ' CB ' ' A' ' 1' ' ' CYS . 20.9 t -79.42 168.91 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.513 -0.992 . . . . 0.0 108.333 178.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.502 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -64.31 84.28 0.06 OUTLIER Glycine 0 CA--C 1.533 1.163 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -178.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.55 HG11 HG22 ' A' ' 99' ' ' VAL . 20.2 t -128.64 24.98 2.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 O-C-N 121.599 -0.942 . . . . 0.0 108.983 179.323 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -169.12 172.95 7.09 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.388 -0.82 . . . . 0.0 109.318 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 108' ' ' THR . 3.0 mt-10 -169.26 -65.09 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.69 -0.631 . . . . 0.0 109.614 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER 179.91 -54.78 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.71 0 O-C-N 121.751 -0.593 . . . . 0.0 110.361 -179.254 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 108' ' ' THR . 41.8 Cg_endo -68.53 170.14 15.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 123.352 1.185 . . . . 0.0 112.041 -178.25 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 113' ' ' GLU . 0.2 OUTLIER -84.11 -4.97 59.15 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.916 -0.49 . . . . 0.0 110.329 179.726 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.481 ' HA ' ' HB3' ' A' ' 114' ' ' ASP . 65.9 mmm -42.58 -31.36 0.44 Allowed 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.501 -0.75 . . . . 0.0 110.5 -179.037 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.474 ' C ' ' HD3' ' A' ' 112' ' ' LYS . 2.0 tmtp? -51.21 -51.42 54.01 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.697 -0.627 . . . . 0.0 109.564 178.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.519 ' HB3' HD12 ' A' ' 110' ' ' LEU . 17.8 tp10 -83.68 -27.06 29.3 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 121.462 -0.774 . . . . 0.0 110.042 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.481 ' HB3' ' HA ' ' A' ' 111' ' ' MET . 36.5 t70 -59.4 -40.04 85.36 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.319 -0.863 . . . . 0.0 110.25 -179.577 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.604 ' HA ' ' HG2' ' A' ' 42' ' ' GLU . 21.2 t -64.54 -42.57 95.64 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 108.962 179.145 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.787 HG12 ' HA ' ' A' ' 55' ' ' VAL . 72.5 mt -68.67 -28.52 40.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.224 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 120' ' ' ARG . 13.2 mt -69.62 -31.98 70.41 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.563 -0.71 . . . . 0.0 109.376 179.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.608 ' HB1' ' CB ' ' A' ' 39' ' ' PRO . . . -71.75 -44.33 64.25 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.063 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.58 -35.22 74.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 O-C-N 121.608 -0.683 . . . . 0.0 109.998 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 12.7 ptm180 -67.52 -33.91 76.03 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 120.86 -1.15 . . . . 0.0 109.281 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 120' ' ' ARG . 57.4 tttm -67.35 -36.84 82.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.4 t80 -62.28 -51.41 67.81 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -66.21 -26.04 67.19 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.95 -0.469 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.32 -40.05 93.22 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.49 -31.45 68.56 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 122' ' ' TYR . 41.9 mt -68.53 -38.25 78.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 O-C-N 121.581 -0.7 . . . . 0.0 109.465 179.096 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.8 m -68.85 -36.38 78.08 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.446 -0.784 . . . . 0.0 109.185 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 128' ' ' LEU . 12.2 tp -71.17 -38.62 72.16 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.505 -0.747 . . . . 0.0 109.43 179.092 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.1 -39.07 93.63 Favored 'General case' 0 C--O 1.217 -0.636 0 O-C-N 121.681 -0.637 . . . . 0.0 109.354 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 66' ' ' LEU . 70.5 mt -69.03 -39.57 79.16 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -72.68 -20.97 61.14 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.246 -0.909 . . . . 0.0 109.696 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.96 -50.51 19.66 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 121.265 -0.897 . . . . 0.0 108.767 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.603 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 5.7 mptp? -81.32 2.73 26.95 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.803 -0.561 . . . . 0.0 109.569 178.155 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 58.49 40.52 23.85 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.326 -0.859 . . . . 0.0 109.722 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 85.5 m-85 62.83 51.94 2.85 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.602 -0.687 . . . . 0.0 110.009 178.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 24.4 m -79.28 162.71 62.91 Favored Pre-proline 0 C--O 1.217 -0.614 0 O-C-N 121.456 -0.777 . . . . 0.0 109.206 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 42.3 Cg_endo -70.07 -40.72 4.53 Favored 'Trans proline' 0 C--N 1.349 0.564 0 O-C-N 123.67 1.353 . . . . 0.0 111.318 -179.549 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.8 -43.22 80.19 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.445 -0.784 . . . . 0.0 109.258 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.603 ' HB2' ' HG2' ' A' ' 133' ' ' LYS . . . -63.15 -37.82 88.74 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.502 -0.749 . . . . 0.0 109.473 179.13 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.561 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 8.2 m95 -66.78 -40.5 88.22 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.481 -0.762 . . . . 0.0 109.961 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.594 ' HG3' HG13 ' A' ' 24' ' ' ILE . 6.6 tm-20 -65.42 -40.62 93.57 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.377 -0.827 . . . . 0.0 109.339 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 32' ' ' ASP . 45.1 t -59.4 -41.27 83.9 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.475 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 146' ' ' GLU . 68.0 t -72.11 -23.65 21.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 O-C-N 121.974 -0.453 . . . . 0.0 109.938 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.673 ' HD2' ' HE2' ' A' ' 21' ' ' MET . 2.4 tpp180 -70.16 -44.71 68.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 120.528 -1.357 . . . . 0.0 108.222 178.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -76.0 -18.2 59.38 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 0.3 OUTLIER -77.64 -34.48 53.16 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.828 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 143' ' ' VAL . 18.6 mm -77.96 -31.07 16.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 28.9 ttm -66.42 -47.0 74.64 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 121.474 -0.766 . . . . 0.0 109.354 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -49.05 65.02 Favored 'General case' 0 C--O 1.211 -0.958 0 O-C-N 121.894 -0.504 . . . . 0.0 110.033 -178.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.523 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 67.3 m -62.4 -39.42 93.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.561 -0.712 . . . . 0.0 110.136 -179.196 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.918 ' HB3' HD21 ' A' ' 15' ' ' LEU . 43.0 t80 -70.12 -36.18 74.64 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 121.544 -0.723 . . . . 0.0 109.419 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 66.6 m -69.46 -33.98 73.71 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.431 -0.793 . . . . 0.0 108.96 178.198 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.488 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 76.2 mt -66.32 -41.55 89.52 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.647 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 49.2 m -71.24 -35.3 71.39 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 121.645 -0.659 . . . . 0.0 109.964 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.82 HG21 ' HB3' ' A' ' 11' ' ' SER . 35.8 p -93.09 1.67 57.1 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.475 -0.766 . . . . 0.0 110.172 -178.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 152' ' ' SER . 5.3 t-20 -75.93 -1.3 24.87 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.069 -1.019 . . . . 0.0 110.589 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 157' ' ' LEU . 4.5 mm? -59.73 -19.54 50.66 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 120.789 -1.194 . . . . 0.0 109.89 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -57.77 -26.02 61.3 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.415 -0.803 . . . . 0.0 109.959 178.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -139.32 112.5 8.12 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 29.7 t -118.92 84.18 2.15 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.28 157.94 35.98 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.558 -0.714 . . . . 0.0 109.586 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -107.03 -65.41 1.1 Allowed 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.42 -0.8 . . . . 0.0 109.388 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.5 t -146.52 78.09 1.5 Allowed 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -120.15 -120.61 0.3 Allowed 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.468 -179.906 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HA ' ' HB1' ' A' ' 97' ' ' ALA . 4.3 t . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.64 0.733 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -115.56 78.7 1.2 Allowed 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.625 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 2.9 mt -64.74 -50.19 65.44 Favored Pre-proline 0 C--O 1.216 -0.706 0 O-C-N 121.623 -0.673 . . . . 0.0 109.336 -179.611 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 3' ' ' LEU . 37.5 Cg_endo -66.39 132.02 28.14 Favored 'Trans proline' 0 C--N 1.354 0.849 0 O-C-N 123.764 1.402 . . . . 0.0 110.527 178.811 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -107.2 89.01 2.87 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.6 p -122.82 -62.72 1.33 Allowed 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.538 -0.727 . . . . 0.0 110.271 -177.48 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -92.8 164.81 13.21 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.171 -0.955 . . . . 0.0 109.645 -179.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -160.6 109.41 1.66 Allowed 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.689 -0.632 . . . . 0.0 109.498 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 9' ' ' LEU . 2.0 pt? -138.77 20.69 2.68 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.415 -0.803 . . . . 0.0 109.905 178.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.72 -44.76 1.49 Allowed Glycine 0 C--O 1.212 -1.236 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.737 ' HB3' HG21 ' A' ' 155' ' ' THR . 38.7 m -92.13 -36.71 13.17 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.517 -0.99 . . . . 0.0 109.817 -179.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -68.17 -43.79 77.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.42 -0.8 . . . . 0.0 109.974 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 21.9 mmt85 -70.7 -33.92 71.41 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 121.272 -0.893 . . . . 0.0 110.005 -179.632 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 84' ' ' PHE . 15.6 m -62.52 -42.85 99.79 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.397 -0.814 . . . . 0.0 109.475 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 151' ' ' PHE . 90.0 mt -68.45 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.435 -0.79 . . . . 0.0 109.596 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 57.3 ttp -62.73 -39.16 93.22 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.347 -0.846 . . . . 0.0 109.1 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 84' ' ' PHE . 86.1 mt -62.78 -41.89 99.45 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.696 HD12 HD23 ' A' ' 15' ' ' LEU . 50.9 mt -58.47 -35.77 72.68 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 121.75 -0.594 . . . . 0.0 109.68 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.64 80.82 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.536 -0.728 . . . . 0.0 109.736 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -67.67 -33.97 76.0 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.353 -0.842 . . . . 0.0 109.697 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.475 ' HE1' ' CD2' ' A' ' 67' ' ' PHE . 9.3 mtp -67.39 -19.55 65.42 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 121.428 -0.795 . . . . 0.0 110.528 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' C ' ' HD2' ' A' ' 22' ' ' ARG . 6.6 tmm_? -46.41 118.42 1.96 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.151 -0.968 . . . . 0.0 110.463 -179.459 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -38.8 9.54 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.268 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.809 HD12 ' SG ' ' A' ' 29' ' ' CYS . 1.6 pt -133.08 170.2 20.48 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 CA-C-O 121.369 0.604 . . . . 0.0 109.679 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -87.67 147.07 25.42 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.484 -0.76 . . . . 0.0 109.749 -179.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.18 -33.55 76.06 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -65.57 -38.46 89.62 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.526 -0.734 . . . . 0.0 109.249 178.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.8 m -67.83 -24.81 65.32 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.309 -0.869 . . . . 0.0 109.134 178.278 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.809 ' SG ' HD12 ' A' ' 24' ' ' ILE . 55.4 m -108.67 47.93 0.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 O-C-N 121.547 -0.721 . . . . 0.0 109.901 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.694 HD23 ' HD3' ' A' ' 33' ' ' ARG . 83.2 mt -85.36 0.01 53.43 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.265 -0.897 . . . . 0.0 110.241 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.68 -30.34 29.32 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.367 -0.833 . . . . 0.0 109.172 178.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.652 ' O ' HG21 ' A' ' 142' ' ' VAL . 46.0 m-20 -112.73 26.91 10.08 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.651 -0.656 . . . . 0.0 109.436 178.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.694 ' HD3' HD23 ' A' ' 30' ' ' LEU . 52.0 ttp180 -86.33 117.64 25.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.123 -0.986 . . . . 0.0 109.584 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -145.19 127.99 16.31 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.73 138.53 56.32 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.674 ' CE2' ' HA ' ' A' ' 126' ' ' ILE . 55.6 m-85 -87.99 -43.3 11.85 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 121.666 -0.646 . . . . 0.0 109.846 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.74 64.63 0.49 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 83.6 t80 -73.45 133.67 80.25 Favored Pre-proline 0 C--O 1.217 -0.642 0 O-C-N 121.582 -0.952 . . . . 0.0 109.053 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 38' ' ' PHE . 54.8 Cg_endo -82.51 69.61 7.28 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 O-C-N 123.766 1.403 . . . . 0.0 111.045 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.784 ' HG3' HD22 ' A' ' 153' ' ' LEU . 3.6 tm0? -74.3 -22.94 59.05 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.205 -0.935 . . . . 0.0 109.48 178.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -54.65 -26.29 32.24 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.363 -0.836 . . . . 0.0 109.372 178.143 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 47' ' ' PHE . 31.8 tt0 -98.17 34.23 2.0 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.426 -0.796 . . . . 0.0 109.21 178.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 20.2 m-85 -142.14 37.17 1.56 Allowed 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.228 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.16 -94.56 0.47 Allowed Glycine 0 CA--C 1.528 0.9 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -71.72 143.59 49.58 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.741 -0.858 . . . . 0.0 109.339 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 46' ' ' GLN . 3.7 tp-100 67.54 19.44 9.92 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.754 -0.591 . . . . 0.0 109.426 -178.402 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.532 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 71.2 m-85 -142.11 56.44 1.47 Allowed 'General case' 0 C--O 1.214 -0.797 0 O-C-N 121.162 -0.961 . . . . 0.0 108.924 179.098 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -176.36 0.27 Allowed 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.347 -0.846 . . . . 0.0 109.851 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -71.12 -3.28 19.11 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.253 -0.904 . . . . 0.0 110.258 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' HD11 ' A' ' 53' ' ' ILE . . . -123.79 15.86 9.41 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.298 -0.876 . . . . 0.0 109.777 178.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -121.96 -43.78 2.33 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.093 -1.005 . . . . 0.0 109.908 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 47' ' ' PHE . 14.6 t -91.48 13.99 16.1 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.679 -0.638 . . . . 0.0 110.22 -179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 49.4 mt -57.93 -42.86 97.47 Favored Pre-proline 0 C--O 1.213 -0.851 0 O-C-N 121.054 -1.029 . . . . 0.0 110.589 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.9 Cg_endo -65.79 -26.42 52.61 Favored 'Trans proline' 0 C--N 1.356 0.967 0 O-C-N 123.214 1.113 . . . . 0.0 110.573 178.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.769 ' HA ' HG12 ' A' ' 116' ' ' ILE . 3.7 t -74.49 -44.6 47.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 60' ' ' ILE . 32.2 mt -62.82 -38.94 92.72 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.504 ' CD2' ' HG3' ' A' ' 96' ' ' GLU . 57.0 t-80 -59.4 -50.66 73.1 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.762 -0.586 . . . . 0.0 109.94 -179.112 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.642 ' HG2' HG21 ' A' ' 116' ' ' ILE . 1.1 mp0 -66.22 -28.73 68.96 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 121.308 -0.87 . . . . 0.0 109.626 179.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.7 ttm -67.34 -39.13 85.76 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 121.338 -0.851 . . . . 0.0 108.706 177.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.739 HG21 ' HG ' ' A' ' 92' ' ' LEU . 25.1 mm -68.23 -29.65 45.13 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.326 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -73.68 -38.26 64.97 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -70.28 -36.83 74.63 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.554 -0.716 . . . . 0.0 109.563 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.61 HG23 ' CE1' ' A' ' 67' ' ' PHE . 84.2 mt -76.16 -29.49 19.43 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.527 ' HA ' HD13 ' A' ' 88' ' ' LEU . 39.3 t80 -64.82 -45.95 84.04 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.293 -0.879 . . . . 0.0 109.381 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' THR . 74.4 m-80 -78.92 -34.29 44.71 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 121.575 -0.703 . . . . 0.0 109.851 -179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 130' ' ' LEU . 43.7 tp -62.5 -30.61 71.4 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.61 ' CE1' HG23 ' A' ' 63' ' ' ILE . 15.8 m-85 -98.92 -17.59 18.28 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 121.603 -0.685 . . . . 0.0 109.859 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 15.0 t -85.64 -18.94 31.81 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 121.204 -0.935 . . . . 0.0 109.912 178.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' ASN . 3.3 p -53.32 149.34 7.51 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 121.382 -0.824 . . . . 0.0 109.915 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.43 -26.3 68.39 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.575 -0.703 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.478 ' HB2' ' CD1' ' A' ' 135' ' ' TYR . 1.2 p30 -74.66 -27.35 60.39 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.544 -0.723 . . . . 0.0 110.018 179.322 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.541 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 85.7 p -92.09 -29.72 16.39 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 121.264 -0.897 . . . . 0.0 109.728 179.472 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 34.4 t -66.53 -30.22 70.49 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.476 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.74 -25.88 26.17 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.601 -0.687 . . . . 0.0 109.213 178.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.33 -32.78 70.67 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.507 -0.746 . . . . 0.0 110.035 179.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -118.67 167.47 11.62 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.688 -0.633 . . . . 0.0 109.398 -178.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.49 134.66 53.89 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.232 -0.918 . . . . 0.0 108.906 178.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -23.47 65.82 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -179.013 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -79.88 -45.99 17.63 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 121.093 -1.004 . . . . 0.0 108.594 178.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 80' ' ' LEU . 80.7 mt -62.39 -38.51 89.88 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.03 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 81' ' ' LEU . 11.7 mt -70.2 -34.58 73.11 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.28 -53.13 57.95 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 53.2 mmtt -65.24 -31.09 72.07 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.323 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.796 ' HA ' HD13 ' A' ' 17' ' ' LEU . 32.1 t80 -65.23 -31.62 72.87 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.599 -0.688 . . . . 0.0 109.239 178.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.5 -36.8 65.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.19 -0.944 . . . . 0.0 109.008 178.179 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -68.52 -38.38 80.86 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.501 -0.749 . . . . 0.0 109.651 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -34.31 72.39 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.424 -0.798 . . . . 0.0 109.456 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.764 HD11 ' CE2' ' A' ' 84' ' ' PHE . 46.4 mt -71.1 -41.47 70.54 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 121.67 -0.644 . . . . 0.0 109.513 179.222 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.94 -30.73 64.09 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.589 -0.694 . . . . 0.0 110.494 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.64 -52.35 15.74 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.137 -0.977 . . . . 0.0 109.616 -179.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.533 ' NE2' HD12 ' A' ' 60' ' ' ILE . 25.2 pt20 -66.27 -21.98 66.3 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.802 179.011 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.739 ' HG ' HG21 ' A' ' 60' ' ' ILE . 7.2 mt -67.12 -46.8 73.04 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 176.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.08 -43.47 91.8 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.22 -40.13 95.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.41 -0.806 . . . . 0.0 109.672 178.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 53' ' ' ILE . 73.0 mt -66.72 -28.42 68.41 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.571 -0.706 . . . . 0.0 109.753 179.256 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.571 ' O ' HG12 ' A' ' 100' ' ' ILE . 42.9 mt-10 -75.82 -34.27 60.11 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 121.472 -0.768 . . . . 0.0 109.83 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 1' ' ' CYS . . . -45.11 -49.07 12.02 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.854 -0.529 . . . . 0.0 110.929 -178.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.575 ' SG ' ' CD1' ' A' ' 53' ' ' ILE . 5.4 m -63.65 -42.34 98.11 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 121.358 -0.839 . . . . 0.0 109.177 179.018 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.2 t -65.44 -30.6 50.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 O-C-N 121.626 -0.671 . . . . 0.0 110.04 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 96' ' ' GLU . 18.8 mm -65.08 -57.84 9.47 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 121.171 -0.956 . . . . 0.0 108.924 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.434 ' HB2' HG22 ' A' ' 103' ' ' VAL . 77.7 mm-40 -80.64 -174.11 4.52 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 121.588 -0.695 . . . . 0.0 109.335 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.51 -32.26 55.1 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 179.119 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 103' ' ' VAL . 15.9 m -58.5 106.02 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 O-C-N 121.599 -0.942 . . . . 0.0 110.032 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.99 -55.26 0.54 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.88 145.92 10.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 121.668 -0.901 . . . . 0.0 109.558 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.5 p -142.06 -163.44 1.59 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.526 -0.734 . . . . 0.0 109.286 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 108' ' ' THR . 39.9 tt0 -56.08 -21.72 23.67 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 107' ' ' GLU . 28.7 m -20.75 117.38 0.12 Allowed Pre-proline 0 N--CA 1.476 0.837 0 CA-C-O 121.034 0.445 . . . . 0.0 112.12 -178.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 111' ' ' MET . 38.2 Cg_endo -65.49 178.95 1.84 Allowed 'Trans proline' 0 C--O 1.214 -0.72 0 C-N-CA 122.159 1.906 . . . . 0.0 110.026 177.794 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 110' ' ' LEU . 10.1 tt -35.28 -26.83 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 O-C-N 122.094 -0.379 . . . . 0.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 109' ' ' PRO . 2.1 tpp -43.17 -33.86 1.0 Allowed 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.537 -0.727 . . . . 0.0 109.901 176.496 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 61.9 pttt -55.85 -39.47 71.52 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.467 -0.771 . . . . 0.0 109.789 179.125 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 31.5 tt0 -87.21 -28.69 22.23 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 121.34 -0.85 . . . . 0.0 109.287 178.499 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -55.03 -36.64 65.72 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.526 -0.734 . . . . 0.0 109.681 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.415 ' OG ' HG22 ' A' ' 55' ' ' VAL . 4.7 p -64.36 -46.51 83.09 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.501 -0.749 . . . . 0.0 109.342 178.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.769 HG12 ' HA ' ' A' ' 55' ' ' VAL . 74.5 mt -69.27 -34.5 63.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 O-C-N 121.565 -0.71 . . . . 0.0 109.252 178.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.94 71.31 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.449 ' HB1' ' CG ' ' A' ' 39' ' ' PRO . . . -69.18 -48.54 61.9 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.297 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.04 -26.79 39.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -69.37 -45.0 70.37 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.369 -0.832 . . . . 0.0 109.533 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -70.17 -31.8 69.44 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.748 ' CE2' HD11 ' A' ' 126' ' ' ILE . 71.5 t80 -63.48 -50.75 68.46 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.555 -0.716 . . . . 0.0 109.353 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -68.68 -28.54 66.95 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.652 -0.655 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.86 -40.85 98.75 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.265 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -68.13 -37.14 80.75 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.748 HD11 ' CE2' ' A' ' 122' ' ' TYR . 53.4 mt -62.04 -38.01 79.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 121.517 -0.739 . . . . 0.0 109.271 178.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 37.4 m -67.8 -36.97 81.37 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.481 -0.762 . . . . 0.0 109.658 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.3 -44.1 72.48 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.461 -0.774 . . . . 0.0 109.861 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -58.93 -38.43 78.96 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 121.556 -0.715 . . . . 0.0 109.308 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.47 HD22 ' CE2' ' A' ' 140' ' ' TRP . 45.3 mt -64.66 -45.0 88.59 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.19 -20.34 63.12 Favored 'General case' 0 C--O 1.217 -0.627 0 O-C-N 121.413 -0.805 . . . . 0.0 109.719 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.53 -50.84 33.44 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.35 -0.844 . . . . 0.0 108.83 178.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -81.84 4.01 23.9 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.801 -0.562 . . . . 0.0 109.72 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 60.66 40.54 16.34 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.519 -0.738 . . . . 0.0 109.407 -179.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 58.3 m-85 61.51 55.95 2.68 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.665 0.745 . . . . 0.0 109.586 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.449 ' OG ' ' HD2' ' A' ' 137' ' ' PRO . 32.1 t -79.96 151.31 73.21 Favored Pre-proline 0 C--O 1.216 -0.705 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.449 ' HD2' ' OG ' ' A' ' 136' ' ' SER . 37.0 Cg_endo -64.09 -35.98 50.49 Favored 'Trans proline' 0 C--N 1.352 0.739 0 O-C-N 123.633 1.333 . . . . 0.0 110.913 179.499 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.79 -39.22 70.05 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.417 -0.802 . . . . 0.0 108.894 177.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 143' ' ' VAL . . . -64.31 -40.36 95.75 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.656 -0.652 . . . . 0.0 109.241 178.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.541 ' CH2' ' HB3' ' A' ' 72' ' ' SER . 22.9 m95 -66.46 -32.21 73.43 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.501 -0.75 . . . . 0.0 109.693 178.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.523 ' HG2' HG13 ' A' ' 24' ' ' ILE . 2.5 tp10 -69.79 -35.2 74.68 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.365 -0.834 . . . . 0.0 108.797 178.568 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.652 HG21 ' O ' ' A' ' 32' ' ' ASP . 56.7 t -67.97 -36.43 75.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.47 HG21 HD21 ' A' ' 130' ' ' LEU . 65.5 t -76.46 -25.59 16.4 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 121.708 -0.62 . . . . 0.0 109.844 178.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 145' ' ' ALA . 4.7 ptt85 -67.41 -49.62 63.0 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.137 -0.977 . . . . 0.0 108.369 178.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' A' ' 144' ' ' ARG . . . -65.41 -34.27 77.91 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.411 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -71.41 -31.18 66.95 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 121.574 -0.704 . . . . 0.0 109.75 179.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 143' ' ' VAL . 15.0 mm -77.95 -35.23 20.33 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 O-C-N 121.171 -0.956 . . . . 0.0 109.092 178.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.491 ' HG3' HD22 ' A' ' 15' ' ' LEU . 29.6 ttm -67.81 -42.17 81.97 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.441 -0.787 . . . . 0.0 109.013 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -69.39 -52.92 22.42 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 121.904 -0.498 . . . . 0.0 109.698 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.507 ' HB3' ' CD1' ' A' ' 38' ' ' PHE . 66.0 m -60.18 -35.82 76.22 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 122.005 -0.434 . . . . 0.0 110.019 -179.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.812 ' HB3' HD21 ' A' ' 15' ' ' LEU . 42.7 t80 -72.2 -38.51 69.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.476 -0.765 . . . . 0.0 109.148 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.529 ' O ' ' HB2' ' A' ' 156' ' ' ASN . 72.3 m -67.12 -30.27 70.24 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.04 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.784 HD22 ' HG3' ' A' ' 40' ' ' GLN . 74.6 mt -71.84 -41.34 68.25 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.579 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 27.1 m -68.14 -35.0 77.38 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 121.631 -0.668 . . . . 0.0 109.622 179.348 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.737 HG21 ' HB3' ' A' ' 11' ' ' SER . 45.5 p -95.12 1.34 54.87 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.489 -0.757 . . . . 0.0 109.542 179.319 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 152' ' ' SER . 10.0 t-20 -67.02 -10.95 55.25 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 121.35 -0.844 . . . . 0.0 110.764 -179.408 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 157' ' ' LEU . 4.1 mm? -51.4 -26.14 7.4 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.018 -1.051 . . . . 0.0 110.658 -179.22 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -67.89 -35.77 79.08 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 121.266 -0.896 . . . . 0.0 109.99 179.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -112.69 1.15 15.58 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.376 -0.828 . . . . 0.0 111.182 -178.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 55.0 m -52.14 -49.19 64.2 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.285 -0.884 . . . . 0.0 110.155 -178.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 161' ' ' LEU . 3.4 mm? -88.42 127.72 35.51 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.443 -0.786 . . . . 0.0 108.888 179.433 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -64.57 -36.42 84.16 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 121.488 -0.757 . . . . 0.0 109.517 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 87.7 p -65.14 161.44 19.08 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 121.53 -0.731 . . . . 0.0 109.593 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.15 51.84 2.13 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 121.478 -0.764 . . . . 0.0 109.435 179.569 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 CA--C 1.537 0.466 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.772 -179.925 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.59 ' HA ' ' HB1' ' A' ' 97' ' ' ALA . 4.6 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.432 0.634 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -97.52 73.76 2.41 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 4' ' ' PRO . 2.1 mt -68.33 -53.12 19.05 Favored Pre-proline 0 C--O 1.216 -0.663 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 3' ' ' LEU . 43.2 Cg_endo -73.35 145.49 38.46 Favored 'Trans proline' 0 C--N 1.352 0.751 0 O-C-N 123.813 1.428 . . . . 0.0 110.105 178.101 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -105.44 88.0 2.74 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.727 0.775 . . . . 0.0 109.565 -179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -90.34 -45.02 9.29 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.437 -0.79 . . . . 0.0 109.884 -179.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -86.76 -176.65 5.87 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.269 -0.894 . . . . 0.0 110.002 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.9 p -94.52 -167.67 1.7 Allowed 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.54 110.16 4.08 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 121.179 -0.95 . . . . 0.0 108.973 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.19 -37.3 93.76 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -66.24 -32.96 74.7 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 121.447 -1.031 . . . . 0.0 109.935 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -39.42 78.53 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 121.386 -0.821 . . . . 0.0 109.719 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -76.39 -39.93 52.35 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.231 -0.918 . . . . 0.0 109.733 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.429 ' HB ' ' HE2' ' A' ' 151' ' ' PHE . 92.8 m -63.4 -45.6 90.3 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.431 -0.793 . . . . 0.0 109.322 179.339 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 18' ' ' LEU . 38.4 mt -67.55 -30.04 69.57 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 121.623 -0.673 . . . . 0.0 109.309 178.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -64.86 -37.87 89.07 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.3 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' ' 84' ' ' PHE . 96.0 mt -62.83 -41.08 99.19 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.696 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.641 HD12 HD23 ' A' ' 15' ' ' LEU . 82.1 mt -62.1 -35.09 77.65 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.621 -0.674 . . . . 0.0 109.503 179.472 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.5 66.56 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.465 -0.772 . . . . 0.0 109.607 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.6 -24.95 65.55 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.451 -0.781 . . . . 0.0 109.669 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.675 ' HG2' ' CE3' ' A' ' 76' ' ' TRP . 41.3 ttm -59.56 -34.6 72.89 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -53.38 110.54 0.57 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.591 -0.693 . . . . 0.0 110.154 -179.451 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -94.15 -39.32 10.63 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.462 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.966 HD12 ' SG ' ' A' ' 29' ' ' CYS . 5.1 pt -109.44 170.3 3.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.155 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.1 m -93.8 145.57 24.5 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.482 -0.761 . . . . 0.0 109.265 179.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -62.95 -31.71 72.87 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -66.1 -37.6 86.16 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.528 -0.733 . . . . 0.0 109.027 178.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -65.23 -28.13 69.15 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.966 ' SG ' HD12 ' A' ' 24' ' ' ILE . 64.8 m -112.2 53.53 0.73 Allowed 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.673 -0.642 . . . . 0.0 110.126 -178.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 52.7 mt -85.64 7.59 22.73 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 121.122 -0.986 . . . . 0.0 110.127 178.659 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.76 -36.96 56.73 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 121.406 -0.809 . . . . 0.0 108.972 179.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.769 ' O ' HG21 ' A' ' 142' ' ' VAL . 0.4 OUTLIER -114.12 26.97 9.85 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.058 178.884 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HD3' ' CD2' ' A' ' 30' ' ' LEU . 52.9 ttp180 -72.82 122.11 21.03 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.003 -1.061 . . . . 0.0 109.415 179.387 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' HG11 ' A' ' 142' ' ' VAL . 37.2 p-80 -163.16 164.84 25.07 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.455 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -106.06 120.56 42.12 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.474 -0.766 . . . . 0.0 109.205 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.538 ' CE1' ' HA ' ' A' ' 126' ' ' ILE . 54.1 m-85 -65.23 -46.19 81.62 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.438 -0.789 . . . . 0.0 109.345 179.124 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.69 68.22 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 39' ' ' PRO . 84.7 t80 -71.6 131.94 85.83 Favored Pre-proline 0 C--O 1.217 -0.653 0 O-C-N 121.519 -0.989 . . . . 0.0 108.934 179.369 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.57 ' CG ' ' HB1' ' A' ' 118' ' ' ALA . 52.3 Cg_endo -81.53 70.65 7.23 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 O-C-N 123.722 1.38 . . . . 0.0 110.952 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.54 ' HG3' HD22 ' A' ' 153' ' ' LEU . 1.0 OUTLIER -73.69 -19.99 60.66 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 121.272 -0.893 . . . . 0.0 109.347 178.478 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -29.08 67.1 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 108.874 177.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -96.43 29.98 2.71 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.053 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' O ' HD21 ' A' ' 157' ' ' LEU . 4.6 m-85 -139.12 16.69 2.62 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.323 -0.861 . . . . 0.0 110.145 -179.382 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.29 -88.37 1.42 Allowed Glycine 0 C--O 1.218 -0.893 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -178.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -71.95 151.47 43.25 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 121.891 -0.77 . . . . 0.0 109.261 -179.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 69.42 19.33 7.65 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 121.633 -0.667 . . . . 0.0 109.343 -178.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.665 ' CD1' HG23 ' A' ' 52' ' ' THR . 72.5 m-85 -143.92 82.38 1.72 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.154 -0.966 . . . . 0.0 109.109 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -77.51 -164.32 0.47 Allowed 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.521 -0.737 . . . . 0.0 109.253 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -75.84 -2.58 30.73 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 121.132 -0.98 . . . . 0.0 110.677 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . . . -128.73 4.55 5.49 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.142 -0.974 . . . . 0.0 110.744 179.375 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 47' ' ' PHE . 68.6 mm-40 -105.36 -31.56 8.99 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 120.858 -1.151 . . . . 0.0 109.944 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.665 HG23 ' CD1' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -87.34 -6.38 58.52 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 121.57 -0.706 . . . . 0.0 109.575 178.635 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.728 HG23 HD23 ' A' ' 95' ' ' LEU . 37.3 mt -52.69 -45.69 96.5 Favored Pre-proline 0 C--O 1.212 -0.896 0 O-C-N 121.295 -0.878 . . . . 0.0 111.578 -178.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 53' ' ' ILE . 36.3 Cg_endo -63.9 -31.23 67.52 Favored 'Trans proline' 0 C--N 1.356 0.963 0 O-C-N 123.138 1.073 . . . . 0.0 110.44 179.107 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.741 ' HA ' HG12 ' A' ' 116' ' ' ILE . 4.8 t -78.09 -33.46 18.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.618 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.625 ' CD2' ' HB3' ' A' ' 154' ' ' SER . 38.2 mt -72.93 -28.26 62.35 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 121.463 -0.773 . . . . 0.0 109.554 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -76.31 -43.52 40.98 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.27 -179.132 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.1 tp10 -72.78 -33.67 66.44 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 109.403 179.317 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.8 ttt -71.43 -42.55 68.12 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.379 -0.826 . . . . 0.0 109.261 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.631 HG23 HD22 ' A' ' 88' ' ' LEU . 28.5 mt -71.01 -23.57 23.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.221 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.455 HE21 HD13 ' A' ' 92' ' ' LEU . 39.7 mm-40 -72.68 -33.77 66.75 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -72.51 -36.23 68.32 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.803 -0.561 . . . . 0.0 109.542 178.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.44 HG23 ' CE1' ' A' ' 67' ' ' PHE . 79.0 mt -75.52 -31.42 23.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 121.301 -0.874 . . . . 0.0 108.681 178.067 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.523 ' HA ' HD13 ' A' ' 88' ' ' LEU . 48.1 t80 -63.63 -43.83 95.65 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 121.647 -0.658 . . . . 0.0 109.402 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.726 ' O ' HG23 ' A' ' 69' ' ' THR . 21.0 t-20 -80.34 -39.09 29.27 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 121.591 -0.693 . . . . 0.0 109.589 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 tp -57.98 -31.86 67.31 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.485 -0.759 . . . . 0.0 109.246 178.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.44 ' CE1' HG23 ' A' ' 63' ' ' ILE . 6.8 m-85 -94.52 -28.5 15.4 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 64' ' ' PHE . 11.7 t -74.98 -15.74 60.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 121.308 -0.87 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 65' ' ' ASN . 22.2 p -57.34 153.39 12.43 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.188 -0.945 . . . . 0.0 109.922 -179.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 3.2 tppp? -64.86 -21.07 66.73 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.618 -0.676 . . . . 0.0 109.69 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.37 -40.83 49.99 Favored 'General case' 0 C--O 1.216 -0.707 0 O-C-N 121.409 -0.807 . . . . 0.0 109.62 179.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.465 ' HB2' ' CH2' ' A' ' 140' ' ' TRP . 25.5 t -80.02 -32.62 39.58 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 121.512 -0.742 . . . . 0.0 110.188 -179.649 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 81' ' ' LEU . 83.3 p -65.1 -37.06 86.26 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.405 -0.809 . . . . 0.0 109.434 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.39 -19.83 35.32 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.46 58.78 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.466 -0.771 . . . . 0.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.675 ' CE3' ' HG2' ' A' ' 21' ' ' MET . 79.7 m95 -119.59 173.75 6.82 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 121.512 -0.743 . . . . 0.0 109.812 -178.444 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -68.89 130.87 44.02 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -28.1 69.86 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.514 -0.742 . . . . 0.0 110.593 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.8 m -77.76 -44.07 28.81 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.165 -0.959 . . . . 0.0 108.935 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 80' ' ' LEU . 92.2 mt -63.21 -38.4 91.02 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 177.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.588 HD21 ' HE1' ' A' ' 21' ' ' MET . 11.0 mt -71.21 -33.02 69.53 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 121.643 -0.661 . . . . 0.0 109.252 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.71 -53.14 61.17 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.583 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.14 -31.06 72.06 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 88' ' ' LEU . 25.8 t80 -66.6 -30.97 71.38 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.662 -0.649 . . . . 0.0 109.608 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.07 -36.3 59.04 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 121.12 -0.987 . . . . 0.0 109.136 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.2 m -68.22 -39.75 82.28 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.587 -0.696 . . . . 0.0 109.572 -179.462 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -71.42 -33.92 69.85 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.358 -0.839 . . . . 0.0 109.604 179.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 84' ' ' PHE . 65.2 mt -67.87 -40.87 83.52 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 121.41 -0.806 . . . . 0.0 109.316 178.696 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -72.37 -34.47 67.97 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.542 -0.724 . . . . 0.0 110.331 -179.276 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.69 -51.46 62.37 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 121.235 -0.916 . . . . 0.0 109.182 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.17 -27.49 67.33 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 89' ' ' TYR . 13.1 mt -69.15 -34.58 75.21 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.482 -0.761 . . . . 0.0 109.456 178.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.25 -39.06 68.72 Favored 'General case' 0 C--O 1.217 -0.647 0 O-C-N 121.29 -0.881 . . . . 0.0 109.474 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.38 -39.25 81.83 Favored 'General case' 0 C--O 1.217 -0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 109.252 178.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.728 HD23 HG23 ' A' ' 53' ' ' ILE . 54.3 mt -65.59 -48.75 71.25 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.734 -0.604 . . . . 0.0 110.348 -179.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.53 ' O ' HG12 ' A' ' 100' ' ' ILE . 11.0 pt-20 -66.34 -28.09 68.39 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.416 -0.802 . . . . 0.0 110.179 -179.03 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 1' ' ' CYS . . . -58.13 -45.3 87.58 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.503 -0.748 . . . . 0.0 109.893 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.533 ' SG ' ' CD1' ' A' ' 53' ' ' ILE . 2.1 m -60.51 -34.99 74.88 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.277 -0.889 . . . . 0.0 109.125 178.385 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.74 -37.92 64.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 O-C-N 121.732 -0.605 . . . . 0.0 109.854 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 96' ' ' GLU . 26.0 mm -57.46 -56.35 15.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 O-C-N 121.357 -0.839 . . . . 0.0 108.96 179.637 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -87.08 -172.53 4.01 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.44 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -113.63 61.6 0.33 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 179.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.7 t -92.36 44.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.727 -0.866 . . . . 0.0 109.678 -178.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.01 91.09 2.01 Favored Glycine 0 C--O 1.215 -1.076 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.5 t -145.75 147.65 18.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 O-C-N 121.626 -0.926 . . . . 0.0 108.974 -179.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.652 HG21 ' SD ' ' A' ' 111' ' ' MET . 65.0 p -64.37 135.95 56.65 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.593 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.731 ' O ' HG23 ' A' ' 108' ' ' THR . 0.8 OUTLIER -65.47 -63.93 0.98 Allowed 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.589 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -171.35 54.64 0.21 Allowed Pre-proline 0 N--CA 1.474 0.764 0 O-C-N 121.731 -0.606 . . . . 0.0 110.48 179.31 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 108' ' ' THR . 55.3 Cg_endo -90.11 169.93 4.18 Favored 'Trans proline' 0 C--N 1.351 0.689 0 O-C-N 123.102 1.054 . . . . 0.0 110.295 178.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.2 tp -70.95 -27.1 63.5 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.227 -0.921 . . . . 0.0 109.136 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.652 ' SD ' HG21 ' A' ' 106' ' ' THR . 4.2 ppp? -72.25 -5.78 38.34 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.535 -0.728 . . . . 0.0 110.76 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.561 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 14.9 tmtt? -55.03 -61.13 2.51 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.06 -1.025 . . . . 0.0 109.546 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 9.6 pt-20 -103.9 16.82 25.44 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 121.49 -0.756 . . . . 0.0 110.083 179.213 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.441 ' CB ' ' HA ' ' A' ' 111' ' ' MET . 26.4 t70 -71.83 -43.24 65.92 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 121.03 -1.044 . . . . 0.0 108.766 178.653 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.718 ' HB3' HG21 ' A' ' 55' ' ' VAL . 20.6 t -66.89 -35.56 80.28 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.741 HG12 ' HA ' ' A' ' 55' ' ' VAL . 58.3 mt -70.13 -35.78 65.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.394 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -68.0 -35.61 78.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.914 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.57 ' HB1' ' CG ' ' A' ' 39' ' ' PRO . . . -65.68 -44.05 87.4 Favored 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 81.4 t -66.88 -24.38 32.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.35 -46.54 69.88 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.407 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 121' ' ' LYS . 75.4 mmtt -70.39 -30.94 67.97 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.346 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.67 ' CE2' HD11 ' A' ' 126' ' ' ILE . 61.7 t80 -65.94 -48.81 70.12 Favored 'General case' 0 C--O 1.216 -0.683 0 O-C-N 121.545 -0.722 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -71.67 -22.31 61.68 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.727 -0.608 . . . . 0.0 110.015 179.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.03 -40.02 82.99 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -69.52 -38.99 77.79 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.67 HD11 ' CE2' ' A' ' 122' ' ' TYR . 68.6 mt -62.1 -41.95 93.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 O-C-N 121.637 -0.665 . . . . 0.0 109.555 178.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.415 ' HA ' HD12 ' A' ' 130' ' ' LEU . 91.0 m -67.56 -39.83 84.92 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 121.411 -0.806 . . . . 0.0 109.571 -179.535 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.8 -47.17 84.62 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.47 -0.769 . . . . 0.0 110.17 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.538 ' HB2' ' HE1' ' A' ' 36' ' ' PHE . 11.3 t80 -60.77 -35.0 75.31 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 121.482 -0.761 . . . . 0.0 109.398 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.429 HD21 HG21 ' A' ' 143' ' ' VAL . 36.5 mt -67.39 -39.74 85.61 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 121.587 -0.696 . . . . 0.0 109.227 178.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' HE3' HG22 ' A' ' 127' ' ' THR . 76.3 mttt -71.94 -25.74 62.0 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.283 -0.886 . . . . 0.0 109.611 178.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.37 -51.33 30.66 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 121.389 -0.819 . . . . 0.0 109.557 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 133' ' ' LYS . 13.9 mptt -80.83 2.87 24.56 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.6 -0.687 . . . . 0.0 109.722 178.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 60.71 39.63 17.22 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.076 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 61.32 50.51 4.72 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 121.582 -0.699 . . . . 0.0 110.312 177.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.481 ' HB3' ' HD2' ' A' ' 137' ' ' PRO . 22.7 m -79.62 162.98 61.02 Favored Pre-proline 0 C--O 1.217 -0.616 0 O-C-N 121.403 -0.81 . . . . 0.0 109.123 178.186 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 136' ' ' SER . 40.3 Cg_endo -67.97 -37.63 14.76 Favored 'Trans proline' 0 C--N 1.351 0.677 0 O-C-N 123.637 1.335 . . . . 0.0 111.455 -179.241 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.46 -42.15 71.86 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.324 -0.86 . . . . 0.0 109.24 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.76 -37.74 85.42 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.465 ' CH2' ' HB2' ' A' ' 72' ' ' SER . 20.2 m95 -68.29 -33.04 73.62 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 121.546 -0.721 . . . . 0.0 109.726 178.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -63.46 -40.32 96.8 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.342 -0.848 . . . . 0.0 108.909 178.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 32' ' ' ASP . 78.0 t -65.13 -44.44 95.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.139 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.597 HG13 ' CG2' ' A' ' 126' ' ' ILE . 88.1 t -69.23 -22.14 25.66 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 O-C-N 121.934 -0.479 . . . . 0.0 110.074 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.45 ' HD3' ' CH2' ' A' ' 76' ' ' TRP . 25.4 ttp85 -72.51 -47.04 51.69 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 120.972 -1.08 . . . . 0.0 108.823 179.229 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.88 -34.38 77.66 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.459 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 53.8 mm-40 -70.68 -37.06 73.61 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.802 -0.561 . . . . 0.0 110.069 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 11.8 mm -73.17 -34.7 45.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 O-C-N 121.364 -0.835 . . . . 0.0 109.619 179.283 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.1 ttm -70.69 -38.99 73.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.447 -0.783 . . . . 0.0 109.203 179.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -70.49 -46.32 63.96 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 121.6 -0.687 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.525 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 77.3 p -63.69 -39.63 94.81 Favored 'General case' 0 C--O 1.216 -0.69 0 O-C-N 121.667 -0.645 . . . . 0.0 110.011 -179.455 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' A' ' 15' ' ' LEU . 19.9 t80 -72.14 -36.4 69.34 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 121.466 -0.771 . . . . 0.0 110.02 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 79.1 p -70.94 -33.58 70.63 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.385 -0.822 . . . . 0.0 108.94 178.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.54 HD22 ' HG3' ' A' ' 40' ' ' GLN . 41.4 mt -67.89 -40.03 83.58 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.584 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.625 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 67.7 m -70.26 -36.94 74.78 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.82 -0.55 . . . . 0.0 110.275 -179.007 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.8 p -94.69 1.61 55.52 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.538 -179.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -68.38 -8.64 42.07 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 121.04 -1.037 . . . . 0.0 111.16 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 43' ' ' PHE . 4.0 mm? -56.69 -33.43 66.43 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 120.795 -1.191 . . . . 0.0 110.042 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -78.43 -33.18 48.72 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 121.353 -0.842 . . . . 0.0 111.174 -178.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.512 ' HA ' ' HB3' ' A' ' 163' ' ' SER . 1.4 tp10 -100.94 -2.45 31.83 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 120.807 -1.183 . . . . 0.0 111.517 -177.132 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 24.9 m -81.69 -62.21 1.71 Allowed 'General case' 0 C--O 1.217 -0.644 0 O-C-N 120.96 -1.088 . . . . 0.0 109.946 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.6 mp -110.51 -39.6 4.87 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 121.371 -0.831 . . . . 0.0 110.525 -178.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 82.1 mtm-85 -92.26 43.42 1.13 Allowed 'General case' 0 C--O 1.218 -0.583 0 O-C-N 121.161 -0.962 . . . . 0.0 110.007 -178.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.512 ' HB3' ' HA ' ' A' ' 159' ' ' GLU . 23.5 p -89.7 94.19 9.75 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.261 -0.899 . . . . 0.0 109.557 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -143.99 84.51 1.78 Allowed 'General case' 0 C--O 1.219 -0.541 0 O-C-N 121.459 -0.776 . . . . 0.0 108.952 179.627 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.524 -179.521 . . . . . . . . 0 0 . 1 stop_ save_